CINXE.COM

Biomolecules Oct 2023

<?xml version="1.0" encoding="UTF-8"?> <!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd"> <html xmlns="http://www.w3.org/1999/xhtml" lang="en" xml:lang="en"> <head> <title>Biomolecules Oct 2023</title> <meta name="viewport" content="width=device-width, initial-scale=1"> <link rel="apple-touch-icon" sizes="180x180" href="/static/browse/0.3.4/images/icons/apple-touch-icon.png"> <link rel="icon" type="image/png" sizes="32x32" href="/static/browse/0.3.4/images/icons/favicon-32x32.png"> <link rel="icon" type="image/png" sizes="16x16" href="/static/browse/0.3.4/images/icons/favicon-16x16.png"> <link rel="manifest" href="/static/browse/0.3.4/images/icons/site.webmanifest"> <link rel="mask-icon" href="/static/browse/0.3.4/images/icons/safari-pinned-tab.svg" color="#5bbad5"> <meta name="msapplication-TileColor" content="#da532c"> <meta name="theme-color" content="#ffffff"> <link rel="stylesheet" type="text/css" media="screen" href="/static/browse/0.3.4/css/arXiv.css?v=20240822" /> <link rel="stylesheet" type="text/css" media="print" href="/static/browse/0.3.4/css/arXiv-print.css?v=20200611" /> <link rel="stylesheet" type="text/css" media="screen" href="/static/browse/0.3.4/css/browse_search.css" /> <script language="javascript" src="/static/browse/0.3.4/js/accordion.js" /></script> <script src="/static/browse/0.3.4/js/mathjaxToggle.min.js" type="text/javascript"></script> <script type="text/javascript" language="javascript">mathjaxToggle();</script> </head> <body class="with-cu-identity"> <div class="flex-wrap-footer"> <header> <a href="#content" class="is-sr-only">Skip to main content</a> <!-- start desktop header --> <div class="columns is-vcentered is-hidden-mobile" id="cu-identity"> <div class="column" id="cu-logo"> <a href="https://www.cornell.edu/"><img src="/static/browse/0.3.4/images/icons/cu/cornell-reduced-white-SMALL.svg" alt="Cornell University" /></a> </div><div class="column" id="support-ack"> <span id="support-ack-url">We gratefully acknowledge support from the Simons Foundation, <a href="https://info.arxiv.org/about/ourmembers.html">member institutions</a>, and all contributors.</span> <a href="https://info.arxiv.org/about/donate.html" class="btn-header-donate">Donate</a> </div> </div> <div id="header" class="is-hidden-mobile"> <a aria-hidden="true" tabindex="-1" href="/IgnoreMe"></a> <div class="header-breadcrumbs"> <a href="/"><img src="/static/browse/0.3.4/images/arxiv-logo-one-color-white.svg" alt="arxiv logo" style="height:40px;"/></a> <span>&gt;</span> <a href="/list/q-bio.BM/recent">q-bio.BM</a> </div> <div class="search-block level-right"> <form class="level-item mini-search" method="GET" action="https://arxiv.org/search"> <div class="field has-addons"> <div class="control"> <input class="input is-small" type="text" name="query" placeholder="Search..." aria-label="Search term or terms" /> <p class="help"><a href="https://info.arxiv.org/help">Help</a> | <a href="https://arxiv.org/search/advanced">Advanced Search</a></p> </div> <div class="control"> <div class="select is-small"> <select name="searchtype" aria-label="Field to search"> <option value="all" selected="selected">All fields</option> <option value="title">Title</option> <option value="author">Author</option> <option value="abstract">Abstract</option> <option value="comments">Comments</option> <option value="journal_ref">Journal reference</option> <option value="acm_class">ACM classification</option> <option value="msc_class">MSC classification</option> <option value="report_num">Report number</option> <option value="paper_id">arXiv identifier</option> <option value="doi">DOI</option> <option value="orcid">ORCID</option> <option value="author_id">arXiv author ID</option> <option value="help">Help pages</option> <option value="full_text">Full text</option> </select> </div> </div> <input type="hidden" name="source" value="header"> <button class="button is-small is-cul-darker">Search</button> </div> </form> </div> </div><!-- /end desktop header --> <div class="mobile-header"> <div class="columns is-mobile"> <div class="column logo-arxiv"><a href="https://arxiv.org/"><img src="/static/browse/0.3.4/images/arxiv-logomark-small-white.svg" alt="arXiv logo" style="height:60px;" /></a></div> <div class="column logo-cornell"><a href="https://www.cornell.edu/"> <picture> <source media="(min-width: 501px)" srcset="/static/browse/0.3.4/images/icons/cu/cornell-reduced-white-SMALL.svg 400w" sizes="400w" /> <source srcset="/static/browse/0.3.4/images/icons/cu/cornell_seal_simple_black.svg 2x" /> <img src="/static/browse/0.3.4/images/icons/cu/cornell-reduced-white-SMALL.svg" alt="Cornell University Logo" /> </picture> </a></div> <div class="column nav" id="toggle-container" role="menubar"> <button class="toggle-control"><svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 512 512" class="icon filter-white"><title>open search</title><path d="M505 442.7L405.3 343c-4.5-4.5-10.6-7-17-7H372c27.6-35.3 44-79.7 44-128C416 93.1 322.9 0 208 0S0 93.1 0 208s93.1 208 208 208c48.3 0 92.7-16.4 128-44v16.3c0 6.4 2.5 12.5 7 17l99.7 99.7c9.4 9.4 24.6 9.4 33.9 0l28.3-28.3c9.4-9.4 9.4-24.6.1-34zM208 336c-70.7 0-128-57.2-128-128 0-70.7 57.2-128 128-128 70.7 0 128 57.2 128 128 0 70.7-57.2 128-128 128z"/></svg></button> <div class="mobile-toggle-block toggle-target"> <form class="mobile-search-form" method="GET" action="https://arxiv.org/search"> <div class="field has-addons"> <input class="input" type="text" name="query" placeholder="Search..." aria-label="Search term or terms" /> <input type="hidden" name="source" value="header"> <input type="hidden" name="searchtype" value="all"> <button class="button">GO</button> </div> </form> </div> <button class="toggle-control"><svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 448 512" class="icon filter-white" role="menu"><title>open navigation menu</title><path d="M16 132h416c8.837 0 16-7.163 16-16V76c0-8.837-7.163-16-16-16H16C7.163 60 0 67.163 0 76v40c0 8.837 7.163 16 16 16zm0 160h416c8.837 0 16-7.163 16-16v-40c0-8.837-7.163-16-16-16H16c-8.837 0-16 7.163-16 16v40c0 8.837 7.163 16 16 16zm0 160h416c8.837 0 16-7.163 16-16v-40c0-8.837-7.163-16-16-16H16c-8.837 0-16 7.163-16 16v40c0 8.837 7.163 16 16 16z"/ ></svg></button> <div class="mobile-toggle-block toggle-target"> <nav class="mobile-menu" aria-labelledby="mobilemenulabel"> <h2 id="mobilemenulabel">quick links</h2> <ul> <li><a href="https://arxiv.org/login">Login</a></li> <li><a href="https://info.arxiv.org/help">Help Pages</a></li> <li><a href="https://info.arxiv.org/about">About</a></li> </ul> </nav> </div> </div> </div> </div><!-- /end mobile-header --> </header> <main> <div id="content"> <div id='content-inner'> <div id='dlpage'> <h1>Biomolecules</h1> <h2>Authors and titles for October 2023 </h2> <div class='paging'>Total of 48 entries </div> <div class='morefewer'>Showing up to 50 entries per page: <a href=/list/q-bio.BM/2023-10?skip=0&amp;show=25 rel="nofollow"> fewer</a> | <span style="color: #454545">more</span> | <span style="color: #454545">all</span> </div> <dl id='articles'> <dt> <a name='item1'>[1]</a> <a href ="/abs/2310.00067" title="Abstract" id="2310.00067"> arXiv:2310.00067 </a> [<a href="/pdf/2310.00067" title="Download PDF" id="pdf-2310.00067" aria-labelledby="pdf-2310.00067">pdf</a>, <a href="/format/2310.00067" title="Other formats" id="oth-2310.00067" aria-labelledby="oth-2310.00067">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Solvent constraints for biopolymer folding and evolution in extraterrestrial environments </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=S%C3%A1nchez,+I+E">Ignacio E. S谩nchez</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Galpern,+E+A">Ezequiel A. Galpern</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Ferreiro,+D+U">Diego U. Ferreiro</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> 25 pages, 6 figures </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span>; Earth and Planetary Astrophysics (astro-ph.EP) </div> </div> </dd> <dt> <a name='item2'>[2]</a> <a href ="/abs/2310.00174" title="Abstract" id="2310.00174"> arXiv:2310.00174 </a> [<a href="/pdf/2310.00174" title="Download PDF" id="pdf-2310.00174" aria-labelledby="pdf-2310.00174">pdf</a>, <a href="/format/2310.00174" title="Other formats" id="oth-2310.00174" aria-labelledby="oth-2310.00174">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> ADMET property prediction through combinations of molecular fingerprints </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Notwell,+J+H">James H. Notwell</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Wood,+M+W">Michael W. Wood</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> 4 pages, 1 figure </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span>; Machine Learning (cs.LG) </div> </div> </dd> <dt> <a name='item3'>[3]</a> <a href ="/abs/2310.00681" title="Abstract" id="2310.00681"> arXiv:2310.00681 </a> [<a href="/pdf/2310.00681" title="Download PDF" id="pdf-2310.00681" aria-labelledby="pdf-2310.00681">pdf</a>, <a href="https://arxiv.org/html/2310.00681v3" title="View HTML" id="html-2310.00681" aria-labelledby="html-2310.00681" rel="noopener noreferrer" target="_blank">html</a>, <a href="/format/2310.00681" title="Other formats" id="oth-2310.00681" aria-labelledby="oth-2310.00681">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> PharmacoNet: Accelerating Large-Scale Virtual Screening by Deep Pharmacophore Modeling </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Seo,+S">Seonghwan Seo</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Kim,+W+Y">Woo Youn Kim</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> 21 pages, 5 figures </div> <div class='list-journal-ref'><span class='descriptor'>Journal-ref:</span> NeurIPS 2023 Workshop on New Frontiers of AI for Drug Discovery and Development </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span>; Machine Learning (cs.LG) </div> </div> </dd> <dt> <a name='item4'>[4]</a> <a href ="/abs/2310.00939" title="Abstract" id="2310.00939"> arXiv:2310.00939 </a> [<a href="/pdf/2310.00939" title="Download PDF" id="pdf-2310.00939" aria-labelledby="pdf-2310.00939">pdf</a>, <a href="/format/2310.00939" title="Other formats" id="oth-2310.00939" aria-labelledby="oth-2310.00939">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Estimation of In-Vitro Free Radical Scavenging and Cytotoxic Activities of Thiocarbohydrazones Derivatives </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Qurat-ul-Ain">Qurat-ul-Ain</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Khan,+M+T+M+K+M">Munira Taj Muhammad Khalid Mohammed Khan</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Choudhary,+M+I">M. Iqbal Choudhary</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> I figure, 3 Schemes, 3 tables </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span> </div> </div> </dd> <dt> <a name='item5'>[5]</a> <a href ="/abs/2310.00947" title="Abstract" id="2310.00947"> arXiv:2310.00947 </a> [<a href="/pdf/2310.00947" title="Download PDF" id="pdf-2310.00947" aria-labelledby="pdf-2310.00947">pdf</a>, <a href="/format/2310.00947" title="Other formats" id="oth-2310.00947" aria-labelledby="oth-2310.00947">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Benzophenone Semicarbazones as Potential alpha-glucosidase and Prolyl Endopeptidase Inhibitor: In-vitro free radical scavenging, enzyme inhibition, mechanistic, and molecular docking studies </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Rafi,+Q+S">Qurat-ul-Ain Sidra Rafi</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Khairullah">Khairullah</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Saeedullah">Saeedullah</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Arshia,+A">Arshia Arshia</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Uddin,+R">Reaz Uddin</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Atia-ul-Wahab">Atia-ul-Wahab</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Khan,+K+M">Khalid Mohammed Khan</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Choudhary,+M+I">M. Iqbal Choudhary</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> 1 schematic,3 tables,7 figures </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span> </div> </div> </dd> <dt> <a name='item6'>[6]</a> <a href ="/abs/2310.02553" title="Abstract" id="2310.02553"> arXiv:2310.02553 </a> [<a href="/pdf/2310.02553" title="Download PDF" id="pdf-2310.02553" aria-labelledby="pdf-2310.02553">pdf</a>, <a href="/format/2310.02553" title="Other formats" id="oth-2310.02553" aria-labelledby="oth-2310.02553">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Full-Atom Protein Pocket Design via Iterative Refinement </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Zhang,+Z">Zaixi Zhang</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Lu,+Z">Zepu Lu</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Hao,+Z">Zhongkai Hao</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Zitnik,+M">Marinka Zitnik</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Liu,+Q">Qi Liu</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> NeurIPS 2023 Spotlight </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span> </div> </div> </dd> <dt> <a name='item7'>[7]</a> <a href ="/abs/2310.03269" title="Abstract" id="2310.03269"> arXiv:2310.03269 </a> [<a href="/pdf/2310.03269" title="Download PDF" id="pdf-2310.03269" aria-labelledby="pdf-2310.03269">pdf</a>, <a href="/format/2310.03269" title="Other formats" id="oth-2310.03269" aria-labelledby="oth-2310.03269">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> InstructProtein: Aligning Human and Protein Language via Knowledge Instruction </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Wang,+Z">Zeyuan Wang</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Zhang,+Q">Qiang Zhang</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Ding,+K">Keyan Ding</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Qin,+M">Ming Qin</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Zhuang,+X">Xiang Zhuang</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Li,+X">Xiaotong Li</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Chen,+H">Huajun Chen</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span>; Computation and Language (cs.CL) </div> </div> </dd> <dt> <a name='item8'>[8]</a> <a href ="/abs/2310.03842" title="Abstract" id="2310.03842"> arXiv:2310.03842 </a> [<a href="/pdf/2310.03842" title="Download PDF" id="pdf-2310.03842" aria-labelledby="pdf-2310.03842">pdf</a>, <a href="/format/2310.03842" title="Other formats" id="oth-2310.03842" aria-labelledby="oth-2310.03842">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> PepMLM: Target Sequence-Conditioned Generation of Therapeutic Peptide Binders via Span Masked Language Modeling </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Chen,+T">Tianlai Chen</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Dumas,+M">Madeleine Dumas</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Watson,+R">Rio Watson</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Vincoff,+S">Sophia Vincoff</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Peng,+C">Christina Peng</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Zhao,+L">Lin Zhao</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Hong,+L">Lauren Hong</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Pertsemlidis,+S">Sarah Pertsemlidis</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Shaepers-Cheu,+M">Mayumi Shaepers-Cheu</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Wang,+T+Z">Tian Zi Wang</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Divya">Divya Srijay</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Monticello,+C">Connor Monticello</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Vure,+P">Pranay Vure</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Pulugurta,+R">Rishab Pulugurta</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Kholina,+K">Kseniia Kholina</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Goel,+S">Shrey Goel</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=DeLisa,+M+P">Matthew P. DeLisa</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Truant,+R">Ray Truant</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Aguilar,+H+C">Hector C. Aguilar</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Chatterjee,+P">Pranam Chatterjee</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span> </div> </div> </dd> <dt> <a name='item9'>[9]</a> <a href ="/abs/2310.04463" title="Abstract" id="2310.04463"> arXiv:2310.04463 </a> [<a href="/pdf/2310.04463" title="Download PDF" id="pdf-2310.04463" aria-labelledby="pdf-2310.04463">pdf</a>, <a href="/format/2310.04463" title="Other formats" id="oth-2310.04463" aria-labelledby="oth-2310.04463">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Diffusing on Two Levels and Optimizing for Multiple Properties: A Novel Approach to Generating Molecules with Desirable Properties </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Guo,+S">Siyuan Guo</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Guan,+J">Jihong Guan</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Zhou,+S">Shuigeng Zhou</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span>; Artificial Intelligence (cs.AI); Machine Learning (cs.LG) </div> </div> </dd> <dt> <a name='item10'>[10]</a> <a href ="/abs/2310.06456" title="Abstract" id="2310.06456"> arXiv:2310.06456 </a> [<a href="/pdf/2310.06456" title="Download PDF" id="pdf-2310.06456" aria-labelledby="pdf-2310.06456">pdf</a>, <a href="/format/2310.06456" title="Other formats" id="oth-2310.06456" aria-labelledby="oth-2310.06456">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Simplifying recombinant protein production: Combining Golden Gate cloning with a standardized protein purification scheme </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Zweng,+S">Sonja Zweng</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Mendoza-Rojas,+G">Gabriel Mendoza-Rojas</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Altegoer,+F">Florian Altegoer</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> 16 pages, 3 figures </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span> </div> </div> </dd> <dt> <a name='item11'>[11]</a> <a href ="/abs/2310.06725" title="Abstract" id="2310.06725"> arXiv:2310.06725 </a> [<a href="/pdf/2310.06725" title="Download PDF" id="pdf-2310.06725" aria-labelledby="pdf-2310.06725">pdf</a>, <a href="/format/2310.06725" title="Other formats" id="oth-2310.06725" aria-labelledby="oth-2310.06725">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Growing ecosystem of deep learning methods for modeling protein$\unicode{x2013}$protein interactions </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Rogers,+J+R">Julia R. Rogers</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Nikol%C3%A9nyi,+G">Gerg艖 Nikol茅nyi</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=AlQuraishi,+M">Mohammed AlQuraishi</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> 19 pages, added model names to discussion </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span>; Machine Learning (cs.LG) </div> </div> </dd> <dt> <a name='item12'>[12]</a> <a href ="/abs/2310.07051" title="Abstract" id="2310.07051"> arXiv:2310.07051 </a> [<a href="/pdf/2310.07051" title="Download PDF" id="pdf-2310.07051" aria-labelledby="pdf-2310.07051">pdf</a>, <a href="/format/2310.07051" title="Other formats" id="oth-2310.07051" aria-labelledby="oth-2310.07051">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Score-Based Generative Models for Designing Binding Peptide Backbones </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Boom,+J+D">John D Boom</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Greenig,+M">Matthew Greenig</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Sormanni,+P">Pietro Sormanni</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Li%C3%B2,+P">Pietro Li貌</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span> </div> </div> </dd> <dt> <a name='item13'>[13]</a> <a href ="/abs/2310.08061" title="Abstract" id="2310.08061"> arXiv:2310.08061 </a> [<a href="/pdf/2310.08061" title="Download PDF" id="pdf-2310.08061" aria-labelledby="pdf-2310.08061">pdf</a>, <a href="/format/2310.08061" title="Other formats" id="oth-2310.08061" aria-labelledby="oth-2310.08061">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> ETDock: A Novel Equivariant Transformer for Protein-Ligand Docking </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Yi,+Y">Yiqiang Yi</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Wan,+X">Xu Wan</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Bian,+Y">Yatao Bian</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Ou-Yang,+L">Le Ou-Yang</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Zhao,+P">Peilin Zhao</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span>; Machine Learning (cs.LG) </div> </div> </dd> <dt> <a name='item14'>[14]</a> <a href ="/abs/2310.08179" title="Abstract" id="2310.08179"> arXiv:2310.08179 </a> [<a href="/pdf/2310.08179" title="Download PDF" id="pdf-2310.08179" aria-labelledby="pdf-2310.08179">pdf</a>, <a href="/format/2310.08179" title="Other formats" id="oth-2310.08179" aria-labelledby="oth-2310.08179">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Decision Tree for Protein Biomarker Selection for Clinical Applications </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Waury,+K">Katharina Waury</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span> </div> </div> </dd> <dt> <a name='item15'>[15]</a> <a href ="/abs/2310.10063" title="Abstract" id="2310.10063"> arXiv:2310.10063 </a> [<a href="/pdf/2310.10063" title="Download PDF" id="pdf-2310.10063" aria-labelledby="pdf-2310.10063">pdf</a>, <a href="/format/2310.10063" title="Other formats" id="oth-2310.10063" aria-labelledby="oth-2310.10063">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> 1,1-Diphenyl-2-picrylhydrazyl and superoxide anion radical scavenging 1 activities of heterocyclic 2-oxo-1,2,3,4-tetrahydropyrimidines </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Perveen,+S">Shahida Perveen</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Qurat-ul-Ain">Qurat-ul-Ain</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Iqbal,+S">Sarosh Iqbal</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Wajid,+S">Sheeba Wajid</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=khan,+K+M">Khalid Muhammad khan</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Choudhary,+M+I">Muhammad Iqbal Choudhary</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> 11 pages,1 scheme, 1 table </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span> </div> </div> </dd> <dt> <a name='item16'>[16]</a> <a href ="/abs/2310.12700" title="Abstract" id="2310.12700"> arXiv:2310.12700 </a> [<a href="/pdf/2310.12700" title="Download PDF" id="pdf-2310.12700" aria-labelledby="pdf-2310.12700">pdf</a>, <a href="/format/2310.12700" title="Other formats" id="oth-2310.12700" aria-labelledby="oth-2310.12700">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Towards Parsimonious Generative Modeling of RNA Families </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Calvanese,+F">Francesco Calvanese</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Lambert,+C+N">Camille N. Lambert</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Nghe,+P">Philippe Nghe</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Zamponi,+F">Francesco Zamponi</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Weigt,+M">Martin Weigt</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> 33 pages (including SI) </div> <div class='list-journal-ref'><span class='descriptor'>Journal-ref:</span> Nucleic Acids Research, gkae289 (2024) </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span>; Statistical Mechanics (cond-mat.stat-mech); Genomics (q-bio.GN); Quantitative Methods (q-bio.QM) </div> </div> </dd> <dt> <a name='item17'>[17]</a> <a href ="/abs/2310.12979" title="Abstract" id="2310.12979"> arXiv:2310.12979 </a> [<a href="/pdf/2310.12979" title="Download PDF" id="pdf-2310.12979" aria-labelledby="pdf-2310.12979">pdf</a>, <a href="/format/2310.12979" title="Other formats" id="oth-2310.12979" aria-labelledby="oth-2310.12979">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Predicting a Protein&#39;s Stability under a Million Mutations </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Ouyang-Zhang,+J">Jeffrey Ouyang-Zhang</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Diaz,+D+J">Daniel J. Diaz</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Klivans,+A+R">Adam R. Klivans</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Kr%C3%A4henb%C3%BChl,+P">Philipp Kr盲henb眉hl</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> NeurIPS 2023. Code available at <a href="https://github.com/jozhang97/MutateEverything" rel="external noopener nofollow" class="link-external link-https">this https URL</a> </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span> </div> </div> </dd> <dt> <a name='item18'>[18]</a> <a href ="/abs/2310.12996" title="Abstract" id="2310.12996"> arXiv:2310.12996 </a> [<a href="/pdf/2310.12996" title="Download PDF" id="pdf-2310.12996" aria-labelledby="pdf-2310.12996">pdf</a>, <a href="/format/2310.12996" title="Other formats" id="oth-2310.12996" aria-labelledby="oth-2310.12996">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Zero-shot Learning of Drug Response Prediction for Preclinical Drug Screening </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Li,+K">Kun Li</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Luo,+Y">Yong Luo</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Cai,+X">Xiantao Cai</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Hu,+W">Wenbin Hu</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Du,+B">Bo Du</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> 16 pages, 3 figures, 3 tables </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span>; Artificial Intelligence (cs.AI); Machine Learning (cs.LG); Cell Behavior (q-bio.CB); Genomics (q-bio.GN) </div> </div> </dd> <dt> <a name='item19'>[19]</a> <a href ="/abs/2310.13665" title="Abstract" id="2310.13665"> arXiv:2310.13665 </a> [<a href="/pdf/2310.13665" title="Download PDF" id="pdf-2310.13665" aria-labelledby="pdf-2310.13665">pdf</a>, <a href="/format/2310.13665" title="Other formats" id="oth-2310.13665" aria-labelledby="oth-2310.13665">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Modular Golden Gate Assembly of Linear DNA Templates for Cell-free Prototyping </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Lehr,+F">Fran莽ois-Xavier Lehr</a> (1 and 2), <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Gaizauskaite,+A">Aukse Gaizauskaite</a> (1,2,3), <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Lipi%C5%84ska,+K+E">Katarzyna El偶bieta Lipi艅ska</a> (1 and 2), <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Gilles,+S">Sara Gilles</a> (1 and 2), <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Sahoo,+A">Arpita Sahoo</a> (1 and 2), <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Inckemann,+R">Ren茅 Inckemann</a> (1), <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Niederholtmeyer,+H">Henrike Niederholtmeyer</a> (1,2,3) ((1) Max Planck Institute for Terrestrial Microbiology, Marburg, Germany, (2) Center for Synthetic Microbiology (SYNMIKRO), Philipps-University Marburg, Marburg, Germany, (3) Synthetic Biology, TUM Campus Straubing for Biotechnology and Sustainability, Technical University of Munich, Straubing, Germany)</div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> 21 pages, 5 figures, protocol </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span> </div> </div> </dd> <dt> <a name='item20'>[20]</a> <a href ="/abs/2310.13806" title="Abstract" id="2310.13806"> arXiv:2310.13806 </a> [<a href="/pdf/2310.13806" title="Download PDF" id="pdf-2310.13806" aria-labelledby="pdf-2310.13806">pdf</a>, <a href="/format/2310.13806" title="Other formats" id="oth-2310.13806" aria-labelledby="oth-2310.13806">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> RoseNet: Predicting Energy Metrics of Double InDel Mutants Using Deep Learning </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Coffland,+S">Sarah Coffland</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Christensen,+K">Katie Christensen</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Jagodzinski,+F">Filip Jagodzinski</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Hutchinson,+B">Brian Hutchinson</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> Presented at Computational Structural Bioinformatics Workshop 2023 </div> <div class='list-journal-ref'><span class='descriptor'>Journal-ref:</span> Proceedings of the 14th ACM International Conference on Bioinformatics, Computational Biology, and Health Informatics. ACM BCB 2023 </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span>; Artificial Intelligence (cs.AI); Machine Learning (cs.LG); Quantitative Methods (q-bio.QM) </div> </div> </dd> <dt> <a name='item21'>[21]</a> <a href ="/abs/2310.15779" title="Abstract" id="2310.15779"> arXiv:2310.15779 </a> [<a href="/pdf/2310.15779" title="Download PDF" id="pdf-2310.15779" aria-labelledby="pdf-2310.15779">pdf</a>, <a href="/format/2310.15779" title="Other formats" id="oth-2310.15779" aria-labelledby="oth-2310.15779">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Analysis of proteins in the light of mutations </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Vila,+J+A">Jorge A. Vila</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> Manuscript of 10 pages and 5 figures </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span> </div> </div> </dd> <dt> <a name='item22'>[22]</a> <a href ="/abs/2310.15857" title="Abstract" id="2310.15857"> arXiv:2310.15857 </a> [<a href="/pdf/2310.15857" title="Download PDF" id="pdf-2310.15857" aria-labelledby="pdf-2310.15857">pdf</a>, <a href="/format/2310.15857" title="Other formats" id="oth-2310.15857" aria-labelledby="oth-2310.15857">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Xeno Amino Acids: A look into biochemistry as we don&#39;t know it </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Brown,+S+M">Sean M. Brown</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Mayer-Bacon,+C">Christopher Mayer-Bacon</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Freeland,+S">Stephen Freeland</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> Submitted to Life (ISSN 2075-1729), 26 pages (without references), 8 figures, 1 table, 1 box </div> <div class='list-journal-ref'><span class='descriptor'>Journal-ref:</span> Life, 13(12), 2281 (2023) </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span>; Populations and Evolution (q-bio.PE) </div> </div> </dd> <dt> <a name='item23'>[23]</a> <a href ="/abs/2310.16716" title="Abstract" id="2310.16716"> arXiv:2310.16716 </a> [<a href="/pdf/2310.16716" title="Download PDF" id="pdf-2310.16716" aria-labelledby="pdf-2310.16716">pdf</a>, <a href="/format/2310.16716" title="Other formats" id="oth-2310.16716" aria-labelledby="oth-2310.16716">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Best practices for the manual curation of Intrinsically Disordered Proteins in DisProt </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Quaglia,+F">Federica Quaglia</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Chasapi,+A">Anastasia Chasapi</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Nugnes,+M+V">Maria Victoria Nugnes</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Aspromonte,+M+C">Maria Cristina Aspromonte</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Leonardi,+E">Emanuela Leonardi</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Piovesan,+D">Damiano Piovesan</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Tosatto,+S+C">Silvio C.E. Tosatto</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span> </div> </div> </dd> <dt> <a name='item24'>[24]</a> <a href ="/abs/2310.17905" title="Abstract" id="2310.17905"> arXiv:2310.17905 </a> [<a href="/pdf/2310.17905" title="Download PDF" id="pdf-2310.17905" aria-labelledby="pdf-2310.17905">pdf</a>, <a href="/format/2310.17905" title="Other formats" id="oth-2310.17905" aria-labelledby="oth-2310.17905">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Small antimicrobial resistance proteins (SARPs): Small proteins conferring antimicrobial resistance </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Prins,+R+C">Rianne C. Prins</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Billerbeck,+S">Sonja Billerbeck</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span> </div> </div> </dd> <dt> <a name='item25'>[25]</a> <a href ="/abs/2310.18249" title="Abstract" id="2310.18249"> arXiv:2310.18249 </a> [<a href="/pdf/2310.18249" title="Download PDF" id="pdf-2310.18249" aria-labelledby="pdf-2310.18249">pdf</a>, <a href="https://arxiv.org/html/2310.18249v2" title="View HTML" id="html-2310.18249" aria-labelledby="html-2310.18249" rel="noopener noreferrer" target="_blank">html</a>, <a href="/format/2310.18249" title="Other formats" id="oth-2310.18249" aria-labelledby="oth-2310.18249">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Leveraging Machine Learning Models for Peptide-Protein Interaction Prediction </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Yin,+S">Song Yin</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Mi,+X">Xuenan Mi</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Shukla,+D">Diwakar Shukla</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> 46 pages, 10 figures </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span>; Quantitative Methods (q-bio.QM) </div> </div> </dd> <dt> <a name='item26'>[26]</a> <a href ="/abs/2310.18278" title="Abstract" id="2310.18278"> arXiv:2310.18278 </a> [<a href="/pdf/2310.18278" title="Download PDF" id="pdf-2310.18278" aria-labelledby="pdf-2310.18278">pdf</a>, <a href="/format/2310.18278" title="Other formats" id="oth-2310.18278" aria-labelledby="oth-2310.18278">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Navigating protein landscapes with a machine-learned transferable coarse-grained model </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Charron,+N+E">Nicholas E. Charron</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Musil,+F">Felix Musil</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Guljas,+A">Andrea Guljas</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Chen,+Y">Yaoyi Chen</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Bonneau,+K">Klara Bonneau</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Pasos-Trejo,+A+S">Aldo S. Pasos-Trejo</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Venturin,+J">Jacopo Venturin</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Gusew,+D">Daria Gusew</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Zaporozhets,+I">Iryna Zaporozhets</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Kr%C3%A4mer,+A">Andreas Kr盲mer</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Templeton,+C">Clark Templeton</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Kelkar,+A">Atharva Kelkar</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Durumeric,+A+E+P">Aleksander E. P. Durumeric</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Olsson,+S">Simon Olsson</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=P%C3%A9rez,+A">Adri脿 P茅rez</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Majewski,+M">Maciej Majewski</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Husic,+B+E">Brooke E. Husic</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Patel,+A">Ankit Patel</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=De+Fabritiis,+G">Gianni De Fabritiis</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=No%C3%A9,+F">Frank No茅</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Clementi,+C">Cecilia Clementi</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span>; Biological Physics (physics.bio-ph); Chemical Physics (physics.chem-ph); Machine Learning (stat.ML) </div> </div> </dd> <dt> <a name='item27'>[27]</a> <a href ="/abs/2310.18760" title="Abstract" id="2310.18760"> arXiv:2310.18760 </a> [<a href="/pdf/2310.18760" title="Download PDF" id="pdf-2310.18760" aria-labelledby="pdf-2310.18760">pdf</a>, <a href="/format/2310.18760" title="Other formats" id="oth-2310.18760" aria-labelledby="oth-2310.18760">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Integration of persistent Laplacian and pre-trained transformer for protein solubility changes upon mutation </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Wee,+J">JunJie Wee</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Chen,+J">Jiahui Chen</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Xia,+K">Kelin Xia</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Wei,+G">Guo-Wei Wei</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span>; Algebraic Topology (math.AT) </div> </div> </dd> <dt> <a name='item28'>[28]</a> <a href ="/abs/2310.19513" title="Abstract" id="2310.19513"> arXiv:2310.19513 </a> [<a href="/pdf/2310.19513" title="Download PDF" id="pdf-2310.19513" aria-labelledby="pdf-2310.19513">pdf</a>, <a href="/format/2310.19513" title="Other formats" id="oth-2310.19513" aria-labelledby="oth-2310.19513">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Inverse folding for antibody sequence design using deep learning </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Dreyer,+F+A">Fr茅d茅ric A. Dreyer</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Cutting,+D">Daniel Cutting</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Schneider,+C">Constantin Schneider</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Kenlay,+H">Henry Kenlay</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Deane,+C+M">Charlotte M. Deane</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> 2023 ICML Workshop on Computational Biology, model weights available at <a href="https://zenodo.org/record/8164693" rel="external noopener nofollow" class="link-external link-https">this https URL</a> </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span>; Artificial Intelligence (cs.AI) </div> </div> </dd> <dt> <a name='item29'>[29]</a> <a href ="/abs/2310.19849" title="Abstract" id="2310.19849"> arXiv:2310.19849 </a> [<a href="/pdf/2310.19849" title="Download PDF" id="pdf-2310.19849" aria-labelledby="pdf-2310.19849">pdf</a>, <a href="/format/2310.19849" title="Other formats" id="oth-2310.19849" aria-labelledby="oth-2310.19849">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Liu,+S">Shiwei Liu</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Zhu,+T">Tian Zhu</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Ren,+M">Milong Ren</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Yu,+C">Chungong Yu</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Bu,+D">Dongbo Bu</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Zhang,+H">Haicang Zhang</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span>; Machine Learning (cs.LG); Quantitative Methods (q-bio.QM) </div> </div> </dd> <dt> <a name='item30'>[30]</a> <a href ="/abs/2310.19950" title="Abstract" id="2310.19950"> arXiv:2310.19950 </a> [<a href="/pdf/2310.19950" title="Download PDF" id="pdf-2310.19950" aria-labelledby="pdf-2310.19950">pdf</a>, <a href="/format/2310.19950" title="Other formats" id="oth-2310.19950" aria-labelledby="oth-2310.19950">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Exploring the Role of Molecular Dynamics Simulations in Most Recent Cancer Research: Insights into Treatment Strategies </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Bozorgpour,+R">Reza Bozorgpour</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Sheybanikashani,+S">Sana Sheybanikashani</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Mohebi,+M">Matin Mohebi</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> 49 pages, 2 figures </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biomolecules (q-bio.BM)</span> </div> </div> </dd> <dt> <a name='item31'>[31]</a> <a href ="/abs/2310.02546" title="Abstract" id="2310.02546"> arXiv:2310.02546 </a> (cross-list from cs.LG) [<a href="/pdf/2310.02546" title="Download PDF" id="pdf-2310.02546" aria-labelledby="pdf-2310.02546">pdf</a>, <a href="/format/2310.02546" title="Other formats" id="oth-2310.02546" aria-labelledby="oth-2310.02546">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Joint Design of Protein Sequence and Structure based on Motifs </div> <div class='list-authors'><a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Song,+Z">Zhenqiao Song</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Zhao,+Y">Yunlong Zhao</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Song,+Y">Yufei Song</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Shi,+W">Wenxian Shi</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Yang,+Y">Yang Yang</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Li,+L">Lei Li</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Machine Learning (cs.LG)</span>; Biomolecules (q-bio.BM) </div> </div> </dd> <dt> <a name='item32'>[32]</a> <a href ="/abs/2310.03253" title="Abstract" id="2310.03253"> arXiv:2310.03253 </a> (cross-list from cs.LG) [<a href="/pdf/2310.03253" title="Download PDF" id="pdf-2310.03253" aria-labelledby="pdf-2310.03253">pdf</a>, <a href="https://arxiv.org/html/2310.03253v2" title="View HTML" id="html-2310.03253" aria-labelledby="html-2310.03253" rel="noopener noreferrer" target="_blank">html</a>, <a href="/format/2310.03253" title="Other formats" id="oth-2310.03253" aria-labelledby="oth-2310.03253">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Molecule Design by Latent Prompt Transformer </div> <div class='list-authors'><a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Kong,+D">Deqian Kong</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Huang,+Y">Yuhao Huang</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Xie,+J">Jianwen Xie</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Wu,+Y+N">Ying Nian Wu</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Machine Learning (cs.LG)</span>; Biomolecules (q-bio.BM); Machine Learning (stat.ML) </div> </div> </dd> <dt> <a name='item33'>[33]</a> <a href ="/abs/2310.04524" title="Abstract" id="2310.04524"> arXiv:2310.04524 </a> (cross-list from cond-mat.soft) [<a href="/pdf/2310.04524" title="Download PDF" id="pdf-2310.04524" aria-labelledby="pdf-2310.04524">pdf</a>, <a href="/format/2310.04524" title="Other formats" id="oth-2310.04524" aria-labelledby="oth-2310.04524">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Theory of the center-of-mass diffusion and viscosity of microstructured and variable sequence copolymer liquids </div> <div class='list-authors'><a href="https://arxiv.org/search/cond-mat?searchtype=author&amp;query=Shi,+G">Guang Shi</a>, <a href="https://arxiv.org/search/cond-mat?searchtype=author&amp;query=Schweizer,+K+S">Kenneth S. Schweizer</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Soft Condensed Matter (cond-mat.soft)</span>; Biomolecules (q-bio.BM) </div> </div> </dd> <dt> <a name='item34'>[34]</a> <a href ="/abs/2310.06763" title="Abstract" id="2310.06763"> arXiv:2310.06763 </a> (cross-list from cs.LG) [<a href="/pdf/2310.06763" title="Download PDF" id="pdf-2310.06763" aria-labelledby="pdf-2310.06763">pdf</a>, <a href="https://arxiv.org/html/2310.06763v5" title="View HTML" id="html-2310.06763" aria-labelledby="html-2310.06763" rel="noopener noreferrer" target="_blank">html</a>, <a href="/format/2310.06763" title="Other formats" id="oth-2310.06763" aria-labelledby="oth-2310.06763">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> FABind: Fast and Accurate Protein-Ligand Binding </div> <div class='list-authors'><a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Pei,+Q">Qizhi Pei</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Gao,+K">Kaiyuan Gao</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Wu,+L">Lijun Wu</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Zhu,+J">Jinhua Zhu</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Xia,+Y">Yingce Xia</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Xie,+S">Shufang Xie</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Qin,+T">Tao Qin</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=He,+K">Kun He</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Liu,+T">Tie-Yan Liu</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Yan,+R">Rui Yan</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> Accepted by Neural Information Processing Systems 2023 (NeurIPS 2023) </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Machine Learning (cs.LG)</span>; Artificial Intelligence (cs.AI); Biomolecules (q-bio.BM) </div> </div> </dd> <dt> <a name='item35'>[35]</a> <a href ="/abs/2310.07276" title="Abstract" id="2310.07276"> arXiv:2310.07276 </a> (cross-list from cs.CL) [<a href="/pdf/2310.07276" title="Download PDF" id="pdf-2310.07276" aria-labelledby="pdf-2310.07276">pdf</a>, <a href="/format/2310.07276" title="Other formats" id="oth-2310.07276" aria-labelledby="oth-2310.07276">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> BioT5: Enriching Cross-modal Integration in Biology with Chemical Knowledge and Natural Language Associations </div> <div class='list-authors'><a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Pei,+Q">Qizhi Pei</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Zhang,+W">Wei Zhang</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Zhu,+J">Jinhua Zhu</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Wu,+K">Kehan Wu</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Gao,+K">Kaiyuan Gao</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Wu,+L">Lijun Wu</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Xia,+Y">Yingce Xia</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Yan,+R">Rui Yan</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> Accepted by Empirical Methods in Natural Language Processing 2023 (EMNLP 2023) </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Computation and Language (cs.CL)</span>; Artificial Intelligence (cs.AI); Machine Learning (cs.LG); Biomolecules (q-bio.BM) </div> </div> </dd> <dt> <a name='item36'>[36]</a> <a href ="/abs/2310.09167" title="Abstract" id="2310.09167"> arXiv:2310.09167 </a> (cross-list from q-bio.QM) [<a href="/pdf/2310.09167" title="Download PDF" id="pdf-2310.09167" aria-labelledby="pdf-2310.09167">pdf</a>, <a href="https://arxiv.org/html/2310.09167v2" title="View HTML" id="html-2310.09167" aria-labelledby="html-2310.09167" rel="noopener noreferrer" target="_blank">html</a>, <a href="/format/2310.09167" title="Other formats" id="oth-2310.09167" aria-labelledby="oth-2310.09167">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> A Deep Neural Network -- Mechanistic Hybrid Model to Predict Pharmacokinetics in Rat </div> <div class='list-authors'><a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=F%C3%BChrer,+F">Florian F眉hrer</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Gruber,+A">Andrea Gruber</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Diedam,+H">Holger Diedam</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=G%C3%B6ller,+A+H">Andreas H. G枚ller</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Menz,+S">Stephan Menz</a>, <a href="https://arxiv.org/search/q-bio?searchtype=author&amp;query=Schneckener,+S">Sebastian Schneckener</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> Version accepted by Journal of Computer-Aided Molecular Design </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Quantitative Methods (q-bio.QM)</span>; Computational Engineering, Finance, and Science (cs.CE); Machine Learning (cs.LG); Biomolecules (q-bio.BM) </div> </div> </dd> <dt> <a name='item37'>[37]</a> <a href ="/abs/2310.09685" title="Abstract" id="2310.09685"> arXiv:2310.09685 </a> (cross-list from cs.LG) [<a href="/pdf/2310.09685" title="Download PDF" id="pdf-2310.09685" aria-labelledby="pdf-2310.09685">pdf</a>, <a href="/format/2310.09685" title="Other formats" id="oth-2310.09685" aria-labelledby="oth-2310.09685">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Generative artificial intelligence for de novo protein design </div> <div class='list-authors'><a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Winnifrith,+A">Adam Winnifrith</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Outeiral,+C">Carlos Outeiral</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Hie,+B">Brian Hie</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> 32 pages, 5 figures, 1 table </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Machine Learning (cs.LG)</span>; Artificial Intelligence (cs.AI); Biomolecules (q-bio.BM) </div> </div> </dd> <dt> <a name='item38'>[38]</a> <a href ="/abs/2310.10605" title="Abstract" id="2310.10605"> arXiv:2310.10605 </a> (cross-list from cond-mat.mtrl-sci) [<a href="/pdf/2310.10605" title="Download PDF" id="pdf-2310.10605" aria-labelledby="pdf-2310.10605">pdf</a>, <a href="/format/2310.10605" title="Other formats" id="oth-2310.10605" aria-labelledby="oth-2310.10605">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> ForceGen: End-to-end de novo protein generation based on nonlinear mechanical unfolding responses using a protein language diffusion model </div> <div class='list-authors'><a href="https://arxiv.org/search/cond-mat?searchtype=author&amp;query=Ni,+B">Bo Ni</a>, <a href="https://arxiv.org/search/cond-mat?searchtype=author&amp;query=Kaplan,+D+L">David L. Kaplan</a>, <a href="https://arxiv.org/search/cond-mat?searchtype=author&amp;query=Buehler,+M+J">Markus J. Buehler</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Materials Science (cond-mat.mtrl-sci)</span>; Mesoscale and Nanoscale Physics (cond-mat.mes-hall); Computation and Language (cs.CL); Machine Learning (cs.LG); Biomolecules (q-bio.BM) </div> </div> </dd> <dt> <a name='item39'>[39]</a> <a href ="/abs/2310.10773" title="Abstract" id="2310.10773"> arXiv:2310.10773 </a> (cross-list from cs.LG) [<a href="/pdf/2310.10773" title="Download PDF" id="pdf-2310.10773" aria-labelledby="pdf-2310.10773">pdf</a>, <a href="https://arxiv.org/html/2310.10773v2" title="View HTML" id="html-2310.10773" aria-labelledby="html-2310.10773" rel="noopener noreferrer" target="_blank">html</a>, <a href="/format/2310.10773" title="Other formats" id="oth-2310.10773" aria-labelledby="oth-2310.10773">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Gotta be SAFE: A New Framework for Molecular Design </div> <div class='list-authors'><a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Noutahi,+E">Emmanuel Noutahi</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Gabellini,+C">Cristian Gabellini</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Craig,+M">Michael Craig</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Lim,+J+S">Jonathan S.C Lim</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Tossou,+P">Prudencio Tossou</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> Code, data and models available at: <a href="https://github.com/datamol-io/safe/" rel="external noopener nofollow" class="link-external link-https">this https URL</a> </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Machine Learning (cs.LG)</span>; Biomolecules (q-bio.BM) </div> </div> </dd> <dt> <a name='item40'>[40]</a> <a href ="/abs/2310.11802" title="Abstract" id="2310.11802"> arXiv:2310.11802 </a> (cross-list from cs.CE) [<a href="/pdf/2310.11802" title="Download PDF" id="pdf-2310.11802" aria-labelledby="pdf-2310.11802">pdf</a>, <a href="/format/2310.11802" title="Other formats" id="oth-2310.11802" aria-labelledby="oth-2310.11802">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> De novo protein design using geometric vector field networks </div> <div class='list-authors'><a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Mao,+W">Weian Mao</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Zhu,+M">Muzhi Zhu</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Sun,+Z">Zheng Sun</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Shen,+S">Shuaike Shen</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Wu,+L+Y">Lin Yuanbo Wu</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Chen,+H">Hao Chen</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Shen,+C">Chunhua Shen</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Computational Engineering, Finance, and Science (cs.CE)</span>; Machine Learning (cs.LG); Biomolecules (q-bio.BM) </div> </div> </dd> <dt> <a name='item41'>[41]</a> <a href ="/abs/2310.13913" title="Abstract" id="2310.13913"> arXiv:2310.13913 </a> (cross-list from cs.LG) [<a href="/pdf/2310.13913" title="Download PDF" id="pdf-2310.13913" aria-labelledby="pdf-2310.13913">pdf</a>, <a href="https://arxiv.org/html/2310.13913v4" title="View HTML" id="html-2310.13913" aria-labelledby="html-2310.13913" rel="noopener noreferrer" target="_blank">html</a>, <a href="/format/2310.13913" title="Other formats" id="oth-2310.13913" aria-labelledby="oth-2310.13913">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Pre-Training on Large-Scale Generated Docking Conformations with HelixDock to Unlock the Potential of Protein-ligand Structure Prediction Models </div> <div class='list-authors'><a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Liu,+L">Lihang Liu</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Zhang,+S">Shanzhuo Zhang</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=He,+D">Donglong He</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Ye,+X">Xianbin Ye</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Zhou,+J">Jingbo Zhou</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Zhang,+X">Xiaonan Zhang</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Jiang,+Y">Yaoyao Jiang</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Diao,+W">Weiming Diao</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Yin,+H">Hang Yin</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Chai,+H">Hua Chai</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Wang,+F">Fan Wang</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=He,+J">Jingzhou He</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Zheng,+L">Liang Zheng</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Li,+Y">Yonghui Li</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Fang,+X">Xiaomin Fang</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Machine Learning (cs.LG)</span>; Computational Engineering, Finance, and Science (cs.CE); Biomolecules (q-bio.BM) </div> </div> </dd> <dt> <a name='item42'>[42]</a> <a href ="/abs/2310.14216" title="Abstract" id="2310.14216"> arXiv:2310.14216 </a> (cross-list from cs.LG) [<a href="/pdf/2310.14216" title="Download PDF" id="pdf-2310.14216" aria-labelledby="pdf-2310.14216">pdf</a>, <a href="https://arxiv.org/html/2310.14216v2" title="View HTML" id="html-2310.14216" aria-labelledby="html-2310.14216" rel="noopener noreferrer" target="_blank">html</a>, <a href="/format/2310.14216" title="Other formats" id="oth-2310.14216" aria-labelledby="oth-2310.14216">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> UniMAP: Universal SMILES-Graph Representation Learning </div> <div class='list-authors'><a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Feng,+S">Shikun Feng</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Yang,+L">Lixin Yang</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Huang,+Y">Yanwen Huang</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Ni,+Y">Yuyan Ni</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Ma,+W">Weiying Ma</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Lan,+Y">Yanyan Lan</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Machine Learning (cs.LG)</span>; Artificial Intelligence (cs.AI); Biomolecules (q-bio.BM) </div> </div> </dd> <dt> <a name='item43'>[43]</a> <a href ="/abs/2310.15728" title="Abstract" id="2310.15728"> arXiv:2310.15728 </a> (cross-list from physics.bio-ph) [<a href="/pdf/2310.15728" title="Download PDF" id="pdf-2310.15728" aria-labelledby="pdf-2310.15728">pdf</a>, <a href="/format/2310.15728" title="Other formats" id="oth-2310.15728" aria-labelledby="oth-2310.15728">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> On the minimal model of kinetic cooperativity. The case of glucokinase </div> <div class='list-authors'><a href="https://arxiv.org/search/physics?searchtype=author&amp;query=Christophorov,+L">Leonid Christophorov</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> 19 pages, 5 figures </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biological Physics (physics.bio-ph)</span>; Biomolecules (q-bio.BM) </div> </div> </dd> <dt> <a name='item44'>[44]</a> <a href ="/abs/2310.16725" title="Abstract" id="2310.16725"> arXiv:2310.16725 </a> (cross-list from physics.bio-ph) [<a href="/pdf/2310.16725" title="Download PDF" id="pdf-2310.16725" aria-labelledby="pdf-2310.16725">pdf</a>, <a href="/format/2310.16725" title="Other formats" id="oth-2310.16725" aria-labelledby="oth-2310.16725">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Radical Pair Model for Magnetic Field Effects on NMDA Receptor Activity </div> <div class='list-authors'><a href="https://arxiv.org/search/physics?searchtype=author&amp;query=Nair,+P+S">Parvathy S Nair</a>, <a href="https://arxiv.org/search/physics?searchtype=author&amp;query=Zadeh-Haghighi,+H">Hadi Zadeh-Haghighi</a>, <a href="https://arxiv.org/search/physics?searchtype=author&amp;query=Simon,+C">Christoph Simon</a></div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biological Physics (physics.bio-ph)</span>; Chemical Physics (physics.chem-ph); Biomolecules (q-bio.BM); Neurons and Cognition (q-bio.NC); Quantum Physics (quant-ph) </div> </div> </dd> <dt> <a name='item45'>[45]</a> <a href ="/abs/2310.17415" title="Abstract" id="2310.17415"> arXiv:2310.17415 </a> (cross-list from cs.CL) [<a href="/pdf/2310.17415" title="Download PDF" id="pdf-2310.17415" aria-labelledby="pdf-2310.17415">pdf</a>, <a href="/format/2310.17415" title="Other formats" id="oth-2310.17415" aria-labelledby="oth-2310.17415">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> PETA: Evaluating the Impact of Protein Transfer Learning with Sub-word Tokenization on Downstream Applications </div> <div class='list-authors'><a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Tan,+Y">Yang Tan</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Li,+M">Mingchen Li</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Tan,+P">Pan Tan</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Zhou,+Z">Ziyi Zhou</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Yu,+H">Huiqun Yu</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Fan,+G">Guisheng Fan</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Hong,+L">Liang Hong</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> 46 pages, 4figures, 9 tables </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Computation and Language (cs.CL)</span>; Artificial Intelligence (cs.AI); Biomolecules (q-bio.BM) </div> </div> </dd> <dt> <a name='item46'>[46]</a> <a href ="/abs/2310.18853" title="Abstract" id="2310.18853"> arXiv:2310.18853 </a> (cross-list from physics.bio-ph) [<a href="/pdf/2310.18853" title="Download PDF" id="pdf-2310.18853" aria-labelledby="pdf-2310.18853">pdf</a>, <a href="https://arxiv.org/html/2310.18853v4" title="View HTML" id="html-2310.18853" aria-labelledby="html-2310.18853" rel="noopener noreferrer" target="_blank">html</a>, <a href="/format/2310.18853" title="Other formats" id="oth-2310.18853" aria-labelledby="oth-2310.18853">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> Liquid Hopfield model: retrieval and localization in heterogeneous liquid mixtures </div> <div class='list-authors'><a href="https://arxiv.org/search/physics?searchtype=author&amp;query=Teixeira,+R+B">Rodrigo Braz Teixeira</a>, <a href="https://arxiv.org/search/physics?searchtype=author&amp;query=Carugno,+G">Giorgio Carugno</a>, <a href="https://arxiv.org/search/physics?searchtype=author&amp;query=Neri,+I">Izaak Neri</a>, <a href="https://arxiv.org/search/physics?searchtype=author&amp;query=Sartori,+P">Pablo Sartori</a></div> <div class='list-journal-ref'><span class='descriptor'>Journal-ref:</span> Proc. Natl. Acad. Sci. U.S.A. 121 (48) e2320504121, (2024) </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Biological Physics (physics.bio-ph)</span>; Disordered Systems and Neural Networks (cond-mat.dis-nn); Soft Condensed Matter (cond-mat.soft); Biomolecules (q-bio.BM) </div> </div> </dd> <dt> <a name='item47'>[47]</a> <a href ="/abs/2310.19685" title="Abstract" id="2310.19685"> arXiv:2310.19685 </a> (cross-list from cs.LG) [<a href="/pdf/2310.19685" title="Download PDF" id="pdf-2310.19685" aria-labelledby="pdf-2310.19685">pdf</a>, <a href="/format/2310.19685" title="Other formats" id="oth-2310.19685" aria-labelledby="oth-2310.19685">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> DGFN: Double Generative Flow Networks </div> <div class='list-authors'><a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Lau,+E">Elaine Lau</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Vemgal,+N">Nikhil Vemgal</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Precup,+D">Doina Precup</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Bengio,+E">Emmanuel Bengio</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> Accepted to NeurIPS 2023 Workshop </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Machine Learning (cs.LG)</span>; Biomolecules (q-bio.BM) </div> </div> </dd> <dt> <a name='item48'>[48]</a> <a href ="/abs/2310.19915" title="Abstract" id="2310.19915"> arXiv:2310.19915 </a> (cross-list from cs.LG) [<a href="/pdf/2310.19915" title="Download PDF" id="pdf-2310.19915" aria-labelledby="pdf-2310.19915">pdf</a>, <a href="/format/2310.19915" title="Other formats" id="oth-2310.19915" aria-labelledby="oth-2310.19915">other</a>] </dt> <dd> <div class='meta'> <div class='list-title mathjax'><span class='descriptor'>Title:</span> GPCR-BERT: Interpreting Sequential Design of G Protein Coupled Receptors Using Protein Language Models </div> <div class='list-authors'><a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Kim,+S">Seongwon Kim</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Mollaei,+P">Parisa Mollaei</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Antony,+A">Akshay Antony</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Magar,+R">Rishikesh Magar</a>, <a href="https://arxiv.org/search/cs?searchtype=author&amp;query=Farimani,+A+B">Amir Barati Farimani</a></div> <div class='list-comments mathjax'><span class='descriptor'>Comments:</span> 25 pages, 5 figures </div> <div class='list-subjects'><span class='descriptor'>Subjects:</span> <span class="primary-subject">Machine Learning (cs.LG)</span>; Biomolecules (q-bio.BM) </div> </div> </dd> </dl> <div class='paging'>Total of 48 entries </div> <div class='morefewer'>Showing up to 50 entries per page: <a href=/list/q-bio.BM/2023-10?skip=0&amp;show=25 rel="nofollow"> fewer</a> | <span style="color: #454545">more</span> | <span style="color: #454545">all</span> </div> </div> </div> </div> </main> <footer style="clear: both;"> <div class="columns is-desktop" role="navigation" aria-label="Secondary" style="margin: -0.75em -0.75em 0.75em -0.75em"> <!-- Macro-Column 1 --> <div class="column" style="padding: 0;"> <div class="columns"> <div class="column"> <ul style="list-style: none; line-height: 2;"> <li><a href="https://info.arxiv.org/about">About</a></li> <li><a href="https://info.arxiv.org/help">Help</a></li> </ul> </div> <div class="column"> <ul style="list-style: none; line-height: 2;"> <li> <svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 512 512" class="icon filter-black" role="presentation"><title>contact arXiv</title><desc>Click here to contact arXiv</desc><path d="M502.3 190.8c3.9-3.1 9.7-.2 9.7 4.7V400c0 26.5-21.5 48-48 48H48c-26.5 0-48-21.5-48-48V195.6c0-5 5.7-7.8 9.7-4.7 22.4 17.4 52.1 39.5 154.1 113.6 21.1 15.4 56.7 47.8 92.2 47.6 35.7.3 72-32.8 92.3-47.6 102-74.1 131.6-96.3 154-113.7zM256 320c23.2.4 56.6-29.2 73.4-41.4 132.7-96.3 142.8-104.7 173.4-128.7 5.8-4.5 9.2-11.5 9.2-18.9v-19c0-26.5-21.5-48-48-48H48C21.5 64 0 85.5 0 112v19c0 7.4 3.4 14.3 9.2 18.9 30.6 23.9 40.7 32.4 173.4 128.7 16.8 12.2 50.2 41.8 73.4 41.4z"/></svg> <a href="https://info.arxiv.org/help/contact.html"> Contact</a> </li> <li> <svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 512 512" class="icon filter-black" role="presentation"><title>subscribe to arXiv mailings</title><desc>Click here to subscribe</desc><path d="M476 3.2L12.5 270.6c-18.1 10.4-15.8 35.6 2.2 43.2L121 358.4l287.3-253.2c5.5-4.9 13.3 2.6 8.6 8.3L176 407v80.5c0 23.6 28.5 32.9 42.5 15.8L282 426l124.6 52.2c14.2 6 30.4-2.9 33-18.2l72-432C515 7.8 493.3-6.8 476 3.2z"/></svg> <a href="https://info.arxiv.org/help/subscribe"> Subscribe</a> </li> </ul> </div> </div> </div> <!-- End Macro-Column 1 --> <!-- Macro-Column 2 --> <div class="column" style="padding: 0;"> <div class="columns"> <div class="column"> <ul style="list-style: none; line-height: 2;"> <li><a href="https://info.arxiv.org/help/license/index.html">Copyright</a></li> <li><a href="https://info.arxiv.org/help/policies/privacy_policy.html">Privacy Policy</a></li> </ul> </div> <div class="column sorry-app-links"> <ul style="list-style: none; line-height: 2;"> <li><a href="https://info.arxiv.org/help/web_accessibility.html">Web Accessibility Assistance</a></li> <li> <p class="help"> <a class="a11y-main-link" href="https://status.arxiv.org" target="_blank">arXiv Operational Status <svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 256 512" class="icon filter-dark_grey" role="presentation"><path d="M224.3 273l-136 136c-9.4 9.4-24.6 9.4-33.9 0l-22.6-22.6c-9.4-9.4-9.4-24.6 0-33.9l96.4-96.4-96.4-96.4c-9.4-9.4-9.4-24.6 0-33.9L54.3 103c9.4-9.4 24.6-9.4 33.9 0l136 136c9.5 9.4 9.5 24.6.1 34z"/></svg></a><br> Get status notifications via <a class="is-link" href="https://subscribe.sorryapp.com/24846f03/email/new" target="_blank"><svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 512 512" class="icon filter-black" role="presentation"><path d="M502.3 190.8c3.9-3.1 9.7-.2 9.7 4.7V400c0 26.5-21.5 48-48 48H48c-26.5 0-48-21.5-48-48V195.6c0-5 5.7-7.8 9.7-4.7 22.4 17.4 52.1 39.5 154.1 113.6 21.1 15.4 56.7 47.8 92.2 47.6 35.7.3 72-32.8 92.3-47.6 102-74.1 131.6-96.3 154-113.7zM256 320c23.2.4 56.6-29.2 73.4-41.4 132.7-96.3 142.8-104.7 173.4-128.7 5.8-4.5 9.2-11.5 9.2-18.9v-19c0-26.5-21.5-48-48-48H48C21.5 64 0 85.5 0 112v19c0 7.4 3.4 14.3 9.2 18.9 30.6 23.9 40.7 32.4 173.4 128.7 16.8 12.2 50.2 41.8 73.4 41.4z"/></svg>email</a> or <a class="is-link" href="https://subscribe.sorryapp.com/24846f03/slack/new" target="_blank"><svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 448 512" class="icon filter-black" role="presentation"><path d="M94.12 315.1c0 25.9-21.16 47.06-47.06 47.06S0 341 0 315.1c0-25.9 21.16-47.06 47.06-47.06h47.06v47.06zm23.72 0c0-25.9 21.16-47.06 47.06-47.06s47.06 21.16 47.06 47.06v117.84c0 25.9-21.16 47.06-47.06 47.06s-47.06-21.16-47.06-47.06V315.1zm47.06-188.98c-25.9 0-47.06-21.16-47.06-47.06S139 32 164.9 32s47.06 21.16 47.06 47.06v47.06H164.9zm0 23.72c25.9 0 47.06 21.16 47.06 47.06s-21.16 47.06-47.06 47.06H47.06C21.16 243.96 0 222.8 0 196.9s21.16-47.06 47.06-47.06H164.9zm188.98 47.06c0-25.9 21.16-47.06 47.06-47.06 25.9 0 47.06 21.16 47.06 47.06s-21.16 47.06-47.06 47.06h-47.06V196.9zm-23.72 0c0 25.9-21.16 47.06-47.06 47.06-25.9 0-47.06-21.16-47.06-47.06V79.06c0-25.9 21.16-47.06 47.06-47.06 25.9 0 47.06 21.16 47.06 47.06V196.9zM283.1 385.88c25.9 0 47.06 21.16 47.06 47.06 0 25.9-21.16 47.06-47.06 47.06-25.9 0-47.06-21.16-47.06-47.06v-47.06h47.06zm0-23.72c-25.9 0-47.06-21.16-47.06-47.06 0-25.9 21.16-47.06 47.06-47.06h117.84c25.9 0 47.06 21.16 47.06 47.06 0 25.9-21.16 47.06-47.06 47.06H283.1z"/></svg>slack</a> </p> </li> </ul> </div> </div> </div> <!-- end MetaColumn 2 --> <!-- End Macro-Column 2 --> </div> </footer> </div> <script src="/static/base/1.0.1/js/member_acknowledgement.js"></script> </body> </html>

Pages: 1 2 3 4 5 6 7 8 9 10