Molecular Systems Design & Engineering

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data-img-src="https://epi-rsc.rsc-cdn.org/globalassets/05-journals-books-databases/our-journals/00-journal-pages-heros/MSDE-HERO.jpg?version=9e729423&width=800&format=jpg&quality=80" data-img-alt="Top Image"><img class="slimmage" src="https://epi-rsc.rsc-cdn.org/globalassets/05-journals-books-databases/our-journals/00-journal-pages-heros/MSDE-HERO.jpg?version=9e729423&width=800&format=jpg&quality=80" alt="Top Image"></noscript> </div> <div class="top-image-area__overlay"></div> <div class="top-image-area__gradient"></div> <div class="grid-container"> <div class="top-image-area__header"> <div class="header_inner_content"> <h1 class="home-header-with-drop">MSDE</h1> <p class="home-header-with-drop"> A molecular engineering journal: Building and designing systems from the molecular level </p> </div> <div class="top-image-area__cta"> <a class="cta__link cta--yellow click-ripple" href="https://pubs.rsc.org/en/journals/journalissues/me#!recentarticles&adv"> <img class="click-ripple" src="https://epi-rsc.rsc-cdn.org/public/img/local/ripple-bg.png?version=20240326094334" width="300" height="300" alt="" style="display: block; opacity: 0; width: 0px; height: 0px; margin: 0px;"> <div class="cta__block"> <span class="cta__copy">Read this journal</span> <b class="cta__block__icon add-icon-after-go-arrow-right"></b> </div> </a> <a class="cta__link cta--blue click-ripple" href="https://mc.manuscriptcentral.com/msde"> <img class="click-ripple" src="https://epi-rsc.rsc-cdn.org/public/img/local/ripple-bg.png?version=20240326094334" width="300" height="300" alt="" style="display: block; opacity: 0; width: 0px; height: 0px; margin: 0px;"> <div class="cta__block"> <span class="cta__copy"> Submit your article</span> <b class="cta__block__icon add-icon-after-go-arrow-right"></b> </div> </a> </div> </div> </div> </div> <main class="main layout-a2" role="main" id="maincontent"> <div class="grid-container"> <div class="layout-a2__col-a ac-outer-container"> <div><div class="block a2maintextblock "> <div class="content-block hashtaglink"> <div class="rsc-ui"> <div class="row"> <div class="column"> <div class="bg-warning pad-sm"><strong>Setting up remote access to RSC content</strong> <p>You can find details about how to access information remotely in this <a href="/about-us/corporate-information/covid-19-response/publishing-remote-access/" target="_blank" rel="noopener">step-by-step guide</a>. The guide will also help if for any reason you have difficulty accessing the content you want.</p> </div> </div> </div> </div> </div> </div><div class="block a2maintextblock "> <div class="content-block hashtaglink"> <h2>What would you like to know about this journal?</h2> </div> </div><div class="block a2maintextblock "> <div class="content-block hashtaglink"> <p style="font-size: 20px; border-left-style: solid; border-color: #004976; border-left-width: 8px; padding: 10px;"><strong><em>MSDE</em> is a Transformative Journal and Plan S compliant</strong></p> <div class="rsc-ui"> <div class="row edge2edge-lg"> <div class="column two padh-sm"> <div class="pad-sm"> <p style="font-size: 20px; border-left-style: solid; border-color: #D3D3D3; border-left-width: 8px; padding: 10px;">Impact factor: 3.2*</p> <p style="font-size: 20px; border-left-style: solid; border-color: #D3D3D3; border-left-width: 8px; padding: 10px;">Time to first decision (all decisions): 21.5 days**</p> <p style="font-size: 20px; border-left-style: solid; border-color: #D3D3D3; border-left-width: 8px; padding: 10px;">Time to first decision (peer reviewed only): 38.0 days***</p> </div> </div> <div class="column two padh-sm"> <div class="pad-sm"> <p style="font-size: 20px; border-left-style: solid; border-color: #D3D3D3; border-left-width: 8px; padding: 10px;">CiteScore: 6.4****</p> <p style="font-size: 20px; border-left-style: solid; border-color: #D3D3D3; border-left-width: 8px; padding: 10px;">Editor-in-chief: Claire S Adjiman</p> <p style="font-size: 20px; border-left-style: solid; border-color: #D3D3D3; border-left-width: 8px; padding: 10px;">Indexed in Web of Science and Scopus</p> <p style="font-size: 20px; border-left-style: solid; border-color: #D3D3D3; border-left-width: 8px; padding: 10px;">Open access publishing options available</p> </div> </div> </div> <div class="row edge2edge-lg"> <div class="column two padh-sm"> <div class="pad-sm"> <p><a class="bg-dk-blue pad-xsm block" href="https://pubs.rsc.org/en/journals/journalissues/me#!recentarticles&adv">Read this journal</a></p> <p><a class="bg-dk-blue pad-xsm block" href="https://mc.manuscriptcentral.com/MSDE">Submit an article</a></p> <p><a class="bg-dk-blue pad-xsm block" href="https://www.rsc.org/Publishing/Journals/forms/V5profile.asp" target="_blank" rel="noopener">Sign up for regular email alerts</a></p> </div> </div> <div class="column two padh-sm"> <div class="pad-sm"> <p><a class="bg-dk-blue pad-xsm block" href="/journals-books-databases/about-journals/metrics/">View all journal metrics</a></p> <p><a class="bg-dk-blue pad-xsm block" href="/journals-books-databases/about-journals/msde/#open-access">Publish open access</a></p> <p><a class="bg-dk-blue pad-xsm block" href="/journals-books-databases/about-journals/msde/#team">Meet the team</a></p> </div> </div> </div> </div> </div> </div><div class="block a2maintextblock "> <div class="content-block hashtaglink"> <h4><em>Molecular Systems Design & Engineering (MSDE) </em>publishes work which establishes new understanding of molecular properties and behaviours, and uses this understanding to design and assemble better materials, systems, and processes to achieve specific functions.</h4> <h3><em><strong>Thoughts from our leadership</strong></em></h3> <div style="float: left; width: 75%; padding-right: 20px;"> <p>"The <em>MSDE</em> proposition, at the crossroads between pressing societal needs and emerging scientific innovation, is timely and compelling. The journal excels at bringing together researchers across often disparate fields of research to form a “molecular systems design community”.</p> <p><strong><a href="/journals-books-databases/about-journals/msde/editorial-board-members/#me_adjiman">Claire Adjiman, Editor-in-chief</a></strong></p> </div> <div style="float: left; width: 20%; min-width: 150px;"> <noscript data-slimmage="true" data-img-class="slimmage hashtaglink" data-img-src="https://epi-rsc.rsc-cdn.org/globalassets/05-journals-books-databases/our-journals/molecular-systems-design-engineering/editorial-board-members/claire-adjiman.jpg?version=b675902d&width=800&format=jpg&quality=80" data-img-alt="image block"><img class="slimmage hashtaglink" src="https://epi-rsc.rsc-cdn.org/globalassets/05-journals-books-databases/our-journals/molecular-systems-design-engineering/editorial-board-members/claire-adjiman.jpg?version=b675902d&width=800&format=jpg&quality=80" alt="Claire Adjiman profile image" alt="image block"></noscript> <p> </p> <p> </p> </div> <p> </p> <div style="float: left; width: 75%; padding-right: 20px;"> <p>"The combination, within <em>MSDE</em>, of articles focused on new methods with those focused on specific applications provides an ideal opportunity to identify cross-pollination between these two distinct, but mutually reinforcing, thrusts: progress in important molecular and materials applications is enabled by new theoretical, experimental, computational, and/or artificial intelligence tools, and pressing challenges can inspire new cross-disciplinary method development."</p> <p> <a href="/journals-books-databases/about-journals/msde/editorial-board-members/#me_ferguson"><strong>Andrew Ferguson, Deputy Editor-in-chief</strong></a></p> </div> <div style="float: left; width: 20%; min-width: 150px;"> <noscript data-slimmage="true" data-img-class="slimmage hashtaglink" data-img-src="https://epi-rsc.rsc-cdn.org/globalassets/05-journals-books-databases/our-journals/molecular-systems-design-engineering/editorial-board-members/ferguson-ferguson_f2c-900.jpg?version=b70cc7d3&width=800&format=jpg&quality=80" data-img-alt="image block"><img class="slimmage hashtaglink" src="https://epi-rsc.rsc-cdn.org/globalassets/05-journals-books-databases/our-journals/molecular-systems-design-engineering/editorial-board-members/ferguson-ferguson_f2c-900.jpg?version=b70cc7d3&width=800&format=jpg&quality=80" alt="Andrew Ferguson profile image" alt="image block"></noscript> <p> </p> </div> <p><a class="btn bg-dk-blue" href="https://pubs.rsc.org/en/content/articlelanding/2023/me/d3me90026f">Find out more about <em>MSDE</em> in Claire and Andrew's reflections and vision Editorial</a></p> </div> </div><div class="block a2maintextblock "> <div class="content-block hashtaglink"> <hr> </div> </div><div class="block a2maintextblock "> <div class="text-image-block hashtaglink"> <div class="text-image-block__bd"> <h2>Journal scope</h2> <p><strong><em>Molecular Systems Design & Engineering </em></strong><strong>(<em>MSDE</em>) is an interdisciplinary journal reporting cutting-edge molecular engineering research.</strong></p> <p>Molecular engineering employs experimental, theoretical and computational approaches to establish new understanding of molecular properties and behaviours, and uses this understanding to design and assemble better materials, systems, and processes to achieve specific functions. <em>MSDE</em> provides a hub for research into new understanding of molecular systems and the use of this understanding in applications of technological significance that help address global challenges.</p> <p>At the interface of the chemical sciences and engineering, this unique journal is a joint venture between the Royal Society of Chemistry and the <a href="http://www.icheme.org/">Institution of Chemical Engineers (IChemE)</a>.</p> <p><em>MSDE </em>brings together physics, biology, chemistry, engineering, and materials science to address:</p> <ul> <li style="font-weight: 400;">New concepts, capabilities and tools based on the study of the behaviour of molecular systems</li> <li style="font-weight: 400;">Screening, design, engineering, and optimisation of molecules, materials, and systems</li> <li style="font-weight: 400;">The conception, design, or engineering of functional devices based on molecular principles</li> <li style="font-weight: 400;">Development or use of statistical or machine learning methodologies for molecular design</li> <li style="font-weight: 400;">Integrated artificial intelligence and automated robotics in experimental science</li> </ul> </div> <div class="text-image-block__img"> <noscript data-slimmage="true" data-img-class="slimmage hashtaglink" data-img-src="https://epi-rsc.rsc-cdn.org/globalassets/05-journals-books-databases/our-journals/00-cover-images/msde-journal-cover.jpg?version=9e7286f3&width=800&format=jpg&quality=80" data-img-alt="image block"><img class="slimmage hashtaglink" src="https://epi-rsc.rsc-cdn.org/globalassets/05-journals-books-databases/our-journals/00-cover-images/msde-journal-cover.jpg?version=9e7286f3&width=800&format=jpg&quality=80" alt="image block"></noscript> </div> </div> </div><div class="block a2maintextblock "> <div class="content-block hashtaglink"> <h3>A molecular design or optimisation strategy</h3> <p>All papers should address the above. This can include the implementation of a molecular design or optimisation strategy targeting the functionality and performance of a system or process of interest. It can also include the development of a new molecular design or optimisation strategy based on fundamental insight into the parameters of a system or process of interest. Methodologies that have utility beyond the scope of the reported work, those covering multiple scales, and those discussing potential technological advances and applications, are particularly encouraged.</p> <p>Examples of relevant systems and applications include, but are not limited to, the following:</p> <ul> <li><strong>Energy</strong> - batteries, solar devices, fuel cells, thermoelectrics, electrocatalysis & photocatalysis</li> <li><strong>Environmental</strong> - membranes, porous materials, detection & monitoring devices</li> <li><strong>Bioengineering - </strong>imaging & diagnostics, tissue engineering & regeneration, therapeutics design & delivery, immune engineering.</li> <li><strong>Quantum engineering - </strong>computing, cryptography, sensors, photonics</li> <li><strong>Nano-manufacturing and control -</strong> directed self-assembly, nano-lithography, additive manufacturing</li> <li><strong>Hard and soft materials -</strong> liquid crystals, ceramics, lubricants, polymers, glasses</li> <li><strong>Electronics -</strong> molecular wires and switches, organic devices</li> <li><strong>Processes - </strong>catalysis, solvents, chemical manufacturing, CO2 capture</li> </ul> </div> </div><div class="block a2maintextblock "> <div class="content-block hashtaglink"> <hr> </div> </div><div class="block a2maintextblock "> <div class="content-block hashtaglink" id="team"> <h2>Meet the team</h2> <p>Find out who is on the editorial and advisory boards for the <em>MSDE</em> journal.</p> </div> </div><div class="block tabsblock "><div class="tabs hashtaglink" id="boards-staff"> <div><div class="block tabsinnerblock "><div class="tabs__content hashtaglink" id="EB"> <span class="tab__heading" style="display: none;">Editorial board</span> <div><div class="block a2maintextblock "> <div class="content-block hashtaglink" id="EB"> <h4>Editor-in-Chief</h4> <p><a href="/journals-books-databases/about-journals/msde/editorial-board-members/#me_adjiman"><strong>Claire S Adjiman</strong></a>, Imperial College London, UK</p> <h4>Deputy Editor-in-chief</h4> <p><strong><a href="/journals-books-databases/about-journals/msde/editorial-board-members/#me_ferguson">Andrew Ferguson</a></strong>, University of Chicago, USA</p> <h4>Associate editors</h4> <p><a href="/journals-books-databases/about-journals/msde/editorial-board-members/#me_connal"><strong>Luke Connal</strong></a>, Australian National University, Australia</p> <p><strong><a href="/journals-books-databases/about-journals/msde/editorial-board-members/#me_kilian">Kris Kilian</a></strong>, University of New South Wales, Australia</p> <p><strong><a href="/journals-books-databases/about-journals/msde/editorial-board-members/#me_liang">Yongye Liang</a>,</strong> Southern University of Science and Technology, China</p> <p><a href="/journals-books-databases/about-journals/msde/editorial-board-members/#me_slater"><strong>Anna Slater</strong></a>, University of Liverpool, UK</p> <h4>Editorial board members</h4> <p><strong><a href="/journals-books-databases/about-journals/msde/editorial-board-members/#me_broadbelt">Linda Broadbelt</a>, </strong>Northwestern University, USA</p> <p><strong><a href="/journals-books-databases/about-journals/msde/editorial-board-members/#me_Korley">LaShanda Korley</a></strong>, University of Delaware, USA</p> <p><strong><a href="/journals-books-databases/about-journals/msde/editorial-board-members/#me_palmans">Anja Palmans</a>, </strong>TU Eindhoven, The Netherlands</p> <p><a href="/journals-books-databases/about-journals/msde/editorial-board-members/#me_stayton" target="_top"><strong>Patrick Stayton</strong></a>, University of Washington, USA</p> </div> </div></div> </div> </div><div class="block tabsinnerblock "><div class="tabs__content hashtaglink" id="AB"> <span class="tab__heading" style="display: none;">Advisory Board</span> <div><div class="block a2maintextblock "> <div class="content-block hashtaglink"> <p><strong>Alfredo Alexander-Katz, </strong>MIT, USA</p> <p><strong>Helena Azevedo</strong>, Queen Mary University of London, UK</p> <p><strong>Andre Bardow</strong>, ETH Zurich, Switzerland</p> <p><strong>Jeremy Baumberg</strong>, University of Cambridge, UK</p> <p><strong>Eva Blasco</strong>, Heidelberg University, Germany</p> <p><strong>Joao Cabral</strong>, Imperial College London, UK</p> <p><strong>Neil Champness</strong>, University of Nottingham, UK</p> <p><strong>Paulette Clancy</strong>, John Hopkins University, USA</p> <p><strong>Marc-Olivier Coppens</strong>, UCL, UK</p> <p><strong>Graeme Day</strong>, University of Southampton, UK</p> <p><strong>Andrew deMello</strong>, ETH Zürich, Switzerland</p> <p><strong>Juan de Pablo</strong>, University of Chicago, USA</p> <p><strong>Cécile Dreiss,</strong> Kings College London, UK</p> <p><strong>Thomas Epps</strong>,<strong> III</strong>, University of Delaware, USA</p> <p><strong>Lei Fang</strong>, Texas A&M University, USA</p> <p><strong>C. Daniel Frisbie</strong>, University of Minnesota, USA</p> <p><strong>Xuefeng Guo</strong>, Peking University, China</p> <p><strong>Raju Kumar Gupta</strong>, Indian Institute of Technology Kanpur, India</p> <p><strong>Sarah Heilshorn</strong>, Stanford University, USA </p> <p><strong>Arthi Jayaraman</strong>, University of Delaware, USA</p> <p><strong>Takashi Kato</strong>, University of Tokyo, Japan</p> <p><strong>Kristi Kiick</strong>, University of Delaware, USA</p> <p><strong>Sang Ouk Kim</strong>, KAIST, Republic of Korea</p> <p><strong>Heather Kulik</strong>, Massachusetts Institute of Technology, USA</p> <p><strong>Jodie Lutkenhaus</strong>, Texas A&M University, USA</p> <p><strong>Heidi Mansour</strong>, FIU Center for Translational Science, USA</p> <p><strong>Bert Meijer</strong>, Eindhoven University of Technology, Netherlands</p> <p><strong>Takashi Nakanishi</strong>, NIMS, Japan</p> <p><strong>Ki Tae Nam</strong>, Seoul National University, Republic of Korea</p> <p><strong>Insup Noh</strong>, Seoul National University of Science & Technology, Republic of Korea</p> <p><strong>Mark A. Olson</strong>, Tianjin University, China</p> <p><strong>Ho Bum Park</strong>, Hanyang University, Republic of Korea</p> <p><strong>Jon Parquette</strong>, Ohio State University, USA</p> <p><strong>Boaz Pokroy</strong>, Israel Institute of Technology, Israel</p> <p><strong>Jeffrey Rimer</strong>, University of Houston, USA</p> <p><strong>Shu Seki</strong>, Kyoto University, Japan</p> <p><strong>Randy Snurr</strong>, Northwestern University, USA</p> <p><strong>Brigitte Stadler</strong>, Aarhus University, Denmark</p> <p><strong>Doros Theodorou</strong>, National Technical University of Athens, Greece</p> <p><strong>Matthew Tirrell</strong>, University of Chicago, USA</p> <p><strong>Bernhardt L. Trout</strong>, MIT, USA</p> <p><strong>Raymond W. Y. Wong</strong>, Hong Kong Polytechnic University, Hong Kong</p> <p><strong>Jing Zhang</strong>, Chinese Academic of Sciences, China</p> <p><strong>Jia Zhu</strong>, Nanjing University, China</p> <p><strong>Meifang Zhu</strong>, Donghua University, China</p> </div> </div></div> </div> </div><div class="block tabsinnerblock "><div class="tabs__content hashtaglink" id="EO"> <span class="tab__heading" style="display: none;">Editorial office</span> <div><div class="block a2maintextblock "> <div class="content-block hashtaglink"> <p><strong>Maria Southall</strong>, Executive Editor, Journals, ORCID <a href="https://orcid.org/0000-0002-7935-6231">0000-0002-7935-6231</a></p> <p><strong>Cara Sutton</strong>, Editorial Manager, Journals</p> <p><strong>Molly Colgate</strong>, Assistant Editor, Journals</p> <p><strong>Katie Morton</strong>, Assistant Editor, Journals</p> <p><strong>Charu Storr-Vijay</strong>, Assistant Editor, Journals</p> <p><strong>Alison Winder</strong>, Assistant Editor, Journals</p> <p><strong>Basita Javeed</strong>, Editorial Assistant, Journals</p> <p><strong>Allison Holloway</strong>, Publishing Assistant, Journals</p> <p><strong>Sam Keltie</strong>, Publisher, Journals, ORCID <a href="http://orcid.org/0000-0002-9369-8414">0000-0002-9369-8414</a></p> </div> </div></div> </div> </div></div> </div> </div><div class="block expandablecontentblock "> <div class="content-block hashtaglink"> <h2>Article types</h2> <p><p><em>MSDE</em> publishes:</p> <ul> <li>Communications</li> <li>Full papers</li> <li>Reviews</li> <li>Minireviews</li> <li>Perspectives</li> <li>Comments</li> </ul> <a class="btn--expandable" data-expandable="" aria-controls="0ed43af6-d900-4978-919e-e0c81c49a458" href="javascript:;">See more information about these article types<b class="add-icon-after-plus"></b></a> <div class="content-block__expandable inactive" id="0ed43af6-d900-4978-919e-e0c81c49a458" data-status="is-expanded" aria-expanded="true"> <div><div class="block a2maintextblock "> <div class="content-block hashtaglink"> <h3>Communications </h3> <p><em>MSDE</em> Communications contain novel scientific work of such importance that rapid publication is desirable. Authors should briefly indicate in a covering letter the reasons why they feel that publication of their work as a Communication is justified.</p> <h3>Full papers </h3> <p>Full papers in <em>MSDE</em> contain original scientific work that has not been published previously. Please note that the Royal Society of Chemistry strongly discourages the fragmentation of a substantial body of work into a number of short publications. There is no page limit for full paper articles.</p> <h3>Reviews</h3> <p>The purpose of a Review is to bring the reader up to date with research in a particular area. The article should aim to provide an authoritative in-depth discussion of current progress. Authors are encouraged to identify areas in the field where further developments are imminent or of urgent need. Please note that Reviews in MSDE should not contain any original research.</p> <h3>Minireviews</h3> <p>Minireviews are highlights or summaries of research in an emerging area (typically from the last two鈥搕hree years). Minireviews are not intended to be comprehensive overviews, rather they are meant to highlight recent and important developments in that specific subject area.</p> <p><span>Minireviews should not contain any unpublished research and should set the topic in the context of the relevant literature</span>. A small amount of speculation of possible future developments may also be appropriate in the 'Conclusions' section.</p> <h3>Perspectives</h3> <p>Perspectives are invited contributions offering the personal viewpoint of leading scientists in their area of research. They present a state-of-the-art account of an area of current interest with an emphasis on future challenges and opportunities. Since the readership of <em>MSDE</em> is wide-ranging, the article should be easily comprehensible to a non-specialist in the field, whilst at the same time providing an authoritative discussion of the area concerned. There are no strict length requirements, but as a general guide Perspectives should be typically between 6 - 20 pages in length. <span>Perspectives should not contain any unpublished research</span>.</p> <h3>Comments and Replies</h3> <p>Comments and Replies are a medium for the discussion and exchange of scientific opinions between authors and readers concerning material published in <em>MSDE</em>.</p> <p>For publication, a Comment should present an alternative analysis of and/or new insight into the previously published material. Any Reply should further the discussion presented in the original article and the Comment. Comments and Replies that contain any form of personal attack are not suitable for publication. </p> <p>Comments that are acceptable for publication will be forwarded to the authors of the work being discussed, and these authors will be given the opportunity to submit a Reply. The Comment and Reply will both be subject to rigorous peer review in consultation with the journal鈥檚 Editorial Board where appropriate. The Comment and Reply will be published together.</p> </div> </div></div> </div> </div> </div><div class="block a2maintextblock "> <div class="content-block hashtaglink"> <hr> </div> </div><div class="block a2maintextblock "> <div class="content-block hashtaglink" id="Journal_guidelines"> <h2>Journal specific guidelines</h2> <p>There are no specific requirements regarding formatting of submissions; we recommend using the Royal Society of Chemistry template but this is not a requirement for submission. All articles accepted for publication in our journals are edited and typeset to our house style by professional editors; we will format the final publication for you.</p> <div class="content-block hashtaglink"> <div style="color: #2c4d67; background-color: #f9f8f8; width: 100%; border-style: solid; border-color: #2c4d67; padding: 10px; border-width: 2px 2px 2px 8px;">The following guidelines are journal specific. For general guidance on preparing an article please visit our <a href="/journals-books-databases/author-and-reviewer-hub/authors-information/prepare-and-format/">Prepare your article</a> and <a href="/journals-books-databases/author-and-reviewer-hub/authors-information/">Resources for authors</a> pages, the content of which is relevant to all of our journals.</div> </div> <p>All articles must include a separate Design, System, Application paragraph (no more than 200 words), that:</p> <ul> <li>explains the molecular design or optimisation strategy and its general utility</li> <li>emphasises the desired systems functionality and design constraints</li> <li>highlights the immediate or future application potential of the work.</li> </ul> <div class="content-block hashtaglink" id="dsa_statement_msde"> <p><p>This paragraph is intended to be accessible to the broad interdisciplinary readership of the journal, and therefore should be written in a general manner to complement more detailed discussions of these aspects within the main text. It should not reproduce the abstract.</p> <a class="btn--expandable" data-expandable="" aria-controls="8e813c47-e490-4589-b068-fd3870351327" href="javascript:;">See an example Design, System, Application statement here<b class="add-icon-after-plus"></b></a> <div class="content-block__expandable inactive" id="8e813c47-e490-4589-b068-fd3870351327" data-status="is-expanded" aria-expanded="true"> <div><div class="block a2maintextblock "> <div class="content-block hashtaglink"> <p><a href="https://pubs.rsc.org/en/content/articlelanding/2023/me/d2me00169a">Computational design of self-assembling peptide chassis materials for synthetic cells</a></p> <p> </p> <p><em>Design, System, Application</em></p> <p> </p> <p>Peptides have become a popular class of building blocks for self-assembly due to their versatility and modulability. In this work, we combined coarse-grained simulations, free energy calculations, and black-box optimization algorithms to develop a high-throughput screening protocol to discover optimal diblock amphiphilic elastin-like polypeptides that could self-assemble into stable vesicles. We performed molecular dynamics and enhanced sampling simulations to quantify the thermodynamic stability of the vesicle formed by the polypeptides, trained Gaussian process regression surrogate models to relate polypeptide sequence to vesicle stability, and Bayesian optimization to rationally traverse the polypeptide design space to efficiently identify peptides that maximize vesicle stability. Self-assembling peptidic vesicles can serve as promising chassis materials for synthetic cells which have a wide range of applications in drug delivery and biosensing. Our high-throughput screening protocol could be extended to other self-assembling peptides or proteins to optimize the amino acid sequence for particular structural or functional goals.</p> </div> </div></div> </div> </div> </div> </div><div class="block a2maintextblock "> <div class="content-block hashtaglink"> <hr> </div> </div><div class="block a2maintextblock "> <div class="content-block hashtaglink" id="open-access"> <h2>Open access publishing options</h2> <p><em>MSDE </em>is a hybrid (transformative) journal and gives authors the choice of publishing their research either via the traditional subscription-based model or instead by choosing our gold open access option. <a href="/journals-books-databases/open-access-publishing/how-to-publish-open-access/#more-options">Find out more about our Transformative Journals</a> which are <a href="/policy-evidence-campaigns/open-access-and-plan-s/">Plan S compliant</a>.</p> <h3>Gold open access</h3> <p>For authors who want to publish their article <a href="/journals-books-databases/open-access-publishing/how-to-publish-open-access/#gold-oa">gold open access</a>, <em>MSDE</em> charges an article processing charge (APC) of £3,000 (+ any applicable tax). Our APC is all-inclusive and makes your article freely available online immediately, permanently, and includes your choice of <a href="/journals-books-databases/open-access-publishing/how-to-publish-open-access/#licences">Creative Commons licence</a> (CC BY or CC BY-NC) at no extra cost. It is not a submission charge, so you only pay if your article is accepted for publication.</p> <p><a href="/journals-books-databases/open-access-publishing/">Learn more about publishing open access</a>.</p> <h3>Read & Publish</h3> <p>If your institution has a Read & Publish agreement in place with the Royal Society of Chemistry, APCs for gold open access publishing in <em>MSDE</em> may already be covered.<br><br></p> <div class="content-block hashtaglink"> <div class="rsc-ui"> <div> <blockquote> <p>Use our <a href="https://rsc.chronoshub.io/?fq=">journal finder</a> to check if your institution has an open access agreement with us.</p> </blockquote> </div> </div> </div> <p>Please use your official institutional email address to submit your manuscript and check you are assigned as the corresponding author; this helps us to identify if you are eligible for Read & Publish or other APC discounts.</p> <h3>Traditional subscription model</h3> <p>Authors can also publish in <em>MSDE </em>via the traditional subscription model without needing to pay an APC. Articles published via this route are available to institutions and individuals who subscribe to the journal. Our standard licence allows you to make the accepted manuscript of your article freely available after a 12-month embargo period. This is known as the green route to open access.</p> <p><a href="/journals-books-databases/open-access-publishing/how-to-publish-open-access/#more-options">Learn more about green open access</a>.</p> </div> </div><div class="block a2maintextblock "> <div class="content-block hashtaglink"> <hr> </div> </div><div class="block expandablecontentblock "> <div class="content-block hashtaglink"> <h2>Themed Collections</h2> <p><p><em>Molecular Systems Design & Engineering</em> publishes a number of themed collections on timely and important topics, guest edited by members of the journal community. Members of the community are welcome to submit proposals for themed collections that would be of interest to the <em>Molecular Systems Design & Engineering</em> readership. Please use the form below to submit a proposal. 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