BioPharmics Ligand- And Structured-Based Drug Design

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See what life is like at Optibrium and browse our jobs</div> <div id='header-sub-menu-1705' class='sub-menu-outer'><div class='sub-menu-inner'><ul class='sub-menu'> <li id="menu-item-1835" class="menu-item menu-item-type-post_type menu-item-object-page menu-item-1835"><a href="https://optibrium.com/jobs/">Browse jobs</a></li> </ul></div></div> </li> <li id="menu-item-1711" class="menu-item menu-item-type-post_type menu-item-object-page has-icon menu-item-1711"><div class="menu-item-heading"><a class="menu-item-has-icon" href="https://optibrium.com/about-optibrium/contact-us/">Contact us<span class="menu-item-icon img-fit" aria-hidden="true" style="mask-image: url('https://optibrium.com/wp-content/themes/optibrium/assets/images/theme-icons/email.svg')"></span></a></div><div class="menu-item-content nflm">Our global team is always here to talk and there are a number of ways to get in touch</div></li> </ul></div></div> </li> </ul> <div class="header-search"> <button class="header-search__toggle" type="button" aria-controls="header-search-outer" aria-expanded="false" aria-label="Toggle search"></button> <div id="header-search-outer" class="header-search__outer"> <div class="header-search__inner"> <form role="search" method="get" class="search-form" action="https://optibrium.com/"> <label> <span class="screen-reader-text">Search for:</span> <input type="search" class="search-field" placeholder="Enter a search word..." value="" name="s" /> </label> <input type="submit" class="search-submit" value="Search" /> </form> </div> </div> </div> </div> </div> </nav> </div> </header> <main id="main" class="site-main nflm"> <div class="site-main__inner"> <div class="site-main__content blocks"> <div class="page-header wp-block alignfull has-backdrop has-backdrop-biopharmics has-breadcrumbs is-style-small-media has-media"> <div class="page-header__wrapper"> <div class="page-header__outer"> <nav class="breadcrumbs" aria-label="breadcrumbs"> <span class="breadcrumbs__yoast-wrapper"><span><a href="https://optibrium.com/">Home</a></span> <span class="breadcrumbs__yoast-separator"></span> <span><a href="https://optibrium.com/products/">Products</a></span> <span class="breadcrumbs__yoast-separator"></span> <span class="breadcrumb_last" aria-current="page">BioPharmics</span></span></nav> <div class="page-header__inner"> <h1 aria-label="Harness cutting edge models for 3D ligand-based and structure-based drug design" class="page-header__heading has-tags"><span>Harness cutting edge models for</span> 3D ligand-based and structure-based drug design</h1> </div> <div class="page-header__media"> <img fetchpriority="high" decoding="async" width="7492" height="1571" src="https://optibrium.com/wp-content/uploads/2024/05/Colour-BioPharmics-1.svg" class="attachment-medium_large size-medium_large" alt="BioPharmics logo" loading="eager" id="4293" /> </div> </div> </div> </div> <section class="in-page-menu wp-block alignwide"> <div class="in-page-menu__outer"> <div class="in-page-menu__inner"> <h2 class="in-page-menu__heading is-style-typestyle-h4">Fast, accurate and robust 3D modelling from small molecules to large macrocycles</h2> <div class="in-page-menu__content nflm"> <p>With industry-leading ligand- and structure-based design software, you can quickly generate accurate conformational ensembles, even for complex macrocycles, predict bound ligand poses and binding affinities without requiring protein structural information, and access rapid, robust virtual screening.</p> </div> </div> <nav class="in-page-menu__nav nflm"> <h3 class="in-page-menu__nav-heading is-style-typestyle-h6">On this page</h3> <ul> <li class="in-page-menu__item"> <a href="#benefits">Benefits</a> </li> <li class="in-page-menu__item"> <a href="#publications">Publications</a> </li> <li class="in-page-menu__item"> <a href="#methodology">Methodology</a> </li> <li class="in-page-menu__item"> <a href="#resources">Resources</a> </li> </ul> </nav> </div> </section> <section id="benefits" class="stacker wp-block alignfull"> <div class="stacker__outer"> <div class="stacker__inner"> <div class="stacker__header nflm"> <h2 aria-label="3D computational modelling for molecular design" class="stacker__heading is-style-typestyle-h2 has-tags">3D computational modelling <span>for molecular design</span></h2> </div> <a href="#contact-form" class="g-button is-yellow stacker__cta has-arrow">Try the BioPharmics platform</a> <div class="stacker__items"> <div class="stacker__item"> <div class="stacker__item-outer has-blue3-background-color"> <div class="stacker__item-inner"> <h3 class="stacker__item-heading is-style-typestyle-h4 has-tags"> 3D Chemical Toolkit Operations </h3> <div class="stacker__item-content nflm"> <ul> <li>Get fast, accurate and template-free conformer generation, even on complex macrocycles</li> <li>Generate 3D structures from 2D, including chirality enumeration and heuristic protonation at physiological pH</li> <li>Produce large-scale conformer databases for virtual screening</li> </ul> </div> </div> </div> </div> <div class="stacker__item"> <div class="stacker__item-outer has-orange-background-color"> <div class="stacker__item-inner"> <h3 class="stacker__item-heading is-style-typestyle-h4 has-tags"> Docking and Structure-Based Design </h3> <div class="stacker__item-content nflm"> <ul> <li>Automate your protein preparation and alignment</li> <li>Access top-tier enrichments and accurate pose prediction</li> <li>Model conformational heterogeneity of bound ligands with real-space fitting of ligands into X-ray electron density</li> </ul> </div> </div> </div> </div> <div class="stacker__item"> <div class="stacker__item-outer has-green-background-color"> <div class="stacker__item-inner"> <h3 class="stacker__item-heading is-style-typestyle-h4 has-tags"> Ligand-Based Modelling </h3> <div class="stacker__item-content nflm"> <ul> <li>Screen millions of compounds and achieve industry-leading enrichment</li> <li>Predict relative bound poses of structurally diverse ligands with multiple-ligand alignment</li> </ul> </div> </div> </div> </div> <div class="stacker__item"> <div class="stacker__item-outer has-blue4-background-color"> <div class="stacker__item-inner"> <h3 class="stacker__item-heading is-style-typestyle-h4 has-tags"> Affinity Prediction </h3> <div class="stacker__item-content nflm"> <ul> <li>Use multiple-instance machine-learning to predict ligand binding affinity and pose</li> <li>Access physically-motivated, accurate, and scaffold-independent models</li> </ul> </div> </div> </div> </div> </div> </div> </div> </section> <section id="publications" class="cards wp-block alignfull"> <div class="cards__outer"> <div class="cards__inner"> <div class="cards__header"> <h2 aria-label="Collaborative research for robust science" class="cards__heading is-style-typestyle-h1 has-tags"><span>Collaborative research</span> for robust science</h2> <div class="cards__subheading"> <p>Discover our wide range of peer-reviewed publications detailing the science behind the BioPharmics platform and its applications.</p> <p><a class="g-button has-arrow" href="https://optibrium.com/knowledge-base/?_tax%5Bproduct%5D%5B%5D=13&_tax%5Bsolution%5D%5B%5D=&_tax%5Bkb-content-type%5D%5B%5D=63&_tax%5Btopic%5D%5B%5D=">Browse all BioPharmics publications</a></p> </div> </div> <div class="cards__items"> <article class="g-card is-knowledge-base is-publication has-image has-link"> <div class="g-card__outer"> <div class="g-card__inner"> <h2 class="g-card__heading"><a href="https://optibrium.com/knowledge-base/from-uk-2a-to-florylpicoxamid-active-learning-to-identify-a-mimic-of-a-macrocyclic-natural-product/">From UK-2A to florylpicoxamid: active learning to identify a mimic of a macrocyclic natural product</a> </h2> <div class="g-card__content"> <p>Scaffold replacement as part of an optimisation process that requires maintenance of potency, desirable biodistribution, metabolic stability, and considerations of synthesis at very large scale is a complex challenge.</p> </div> </div> <div class="g-card__footer"> <div class="g-card__labels"> <div class="g-card__labels__items"> <a href="https://optibrium.com/topic/3d-molecular-design/" class="g-button is-small">3D molecular design</a> </div> </div> <div class="g-card__meta"> 17 April 2024 </div> </div> </div> <div class="g-card__media img-fit"> <img decoding="async" width="768" height="280" src="data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAxNzQzIDYzNSIgd2lkdGg9IjE3NDMiIGhlaWdodD0iNjM1IiBkYXRhLXU9Imh0dHBzJTNBJTJGJTJGb3B0aWJyaXVtLmNvbSUyRndwLWNvbnRlbnQlMkZ1cGxvYWRzJTJGMjAyNCUyRjA1JTJGUXVhblNBLUNvcnRldmEtcGFwZXItR0EuanBnIiBkYXRhLXc9IjE3NDMiIGRhdGEtaD0iNjM1Ij48L3N2Zz4=" data-spai="1" class="attachment-medium_large size-medium_large" alt="" id="2692" srcset=" " sizes="(max-width: 768px) 100vw, 768px" /> </div> </article> <article class="g-card is-knowledge-base is-publication has-image has-link"> <div class="g-card__outer"> <div class="g-card__inner"> <h2 class="g-card__heading"><a href="https://optibrium.com/knowledge-base/a-distributional-model-of-bound-ligand-conformational-strain-from-small-molecules-to-large-peptidic-macrocycles/">A distributional model of bound ligand conformational strain: from small molecules to large peptidic macrocycles</a> </h2> <div class="g-card__content"> <p>We show that the distribution of expected global strain energy values is dependent on molecular size in a superlinear manner. The distribution of strain energy follows a rectified normal distribution whose mean and variance are related to conformational complexity.</p> </div> </div> <div class="g-card__footer"> <div class="g-card__labels"> <div class="g-card__labels__items"> <a href="https://optibrium.com/topic/3d-molecular-design/" class="g-button is-small">3D molecular design</a> </div> </div> <div class="g-card__meta"> 26 January 2023 </div> </div> </div> <div class="g-card__media img-fit"> <img decoding="async" width="500" height="271" src="data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCA1MDAgMjcxIiB3aWR0aD0iNTAwIiBoZWlnaHQ9IjI3MSIgZGF0YS11PSJodHRwcyUzQSUyRiUyRm9wdGlicml1bS5jb20lMkZ3cC1jb250ZW50JTJGdXBsb2FkcyUyRjIwMjQlMkYwNSUyRkRpc3RyaWJ1dGlvbmFsLW1vZGVsLW9mLWJvdW5kLWxpZ2FuZC1jb25mb3JtYXRpb24tR0EuanBnIiBkYXRhLXc9IjUwMCIgZGF0YS1oPSIyNzEiPjwvc3ZnPg==" data-spai="1" class="attachment-medium_large size-medium_large" alt="" id="2621" /> </div> </article> <article class="g-card is-knowledge-base is-publication has-image has-link"> <div class="g-card__outer"> <div class="g-card__inner"> <h2 class="g-card__heading"><a href="https://optibrium.com/knowledge-base/structure-and-ligand-based-virtual-screening-on-dud-e-performance-dependence-on-approximations-to-the-binding-pocket/">Structure- and ligand-based virtual screening on DUD-E+: performance dependence on approximations to the binding pocket</a> </h2> <div class="g-card__content"> <p>Using the DUD-E+ benchmark, we explore the impact of using a single protein pocket or ligand for virtual screening compared with using ensembles of alternative pockets, ligands, and sets thereof.</p> </div> </div> <div class="g-card__footer"> <div class="g-card__labels"> <div class="g-card__labels__items"> <a href="https://optibrium.com/topic/3d-molecular-design/" class="g-button is-small">3D molecular design</a> </div> </div> <div class="g-card__meta"> 9 April 2020 </div> </div> </div> <div class="g-card__media img-fit"> <img decoding="async" width="768" height="349" src="data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCA5MjggNDIyIiB3aWR0aD0iOTI4IiBoZWlnaHQ9IjQyMiIgZGF0YS11PSJodHRwcyUzQSUyRiUyRm9wdGlicml1bS5jb20lMkZ3cC1jb250ZW50JTJGdXBsb2FkcyUyRjIwMjQlMkYwNSUyRkRVRC1FLXBhcGVyLmpwZWciIGRhdGEtdz0iOTI4IiBkYXRhLWg9IjQyMiI+PC9zdmc+" data-spai="1" class="attachment-medium_large size-medium_large" alt="" id="2687" srcset=" " sizes="(max-width: 768px) 100vw, 768px" /> </div> </article> </div> </div> </div> </section> <section class="wysiwyg wp-block alignwide has-text-align-center"> <div class="wysiwyg__inner nflm"> <h2 class="wysiwyg__heading is-style-typestyle-h3">Interested in accessing the BioPharmics platform?</h2> <div class="wysiwyg__content nflm"> <p>Get in touch to have a chat with the team</p> <p><a class="g-button is-yellow" href="#contact-form">Get in touch</a></p> </div> </div> </section> <section id="methodology" class="flags wp-block has-even-items alignfull"> <div class="flags__outer"> <div class="flags__inner"> <div class="flags__header nflm"> <h2 class="flags__heading">Method Highlights</h2> </div> <div class="flags__items"> <div class="flags__item"> <div class="flags__item-inner nflm"> <h2 class="flags__item-heading is-style-typestyle-h3 has-tags"> Fast, accurate conformers <span>with ForceGen</span> </h2> <div class="flags__item-content nflm"> <p>Struggling to generate accurate conformers for your macrocycles or structurally-novel compounds? With ForceGen, you can identify the most likely conformers for all your compounds, from small molecules to large macrocycles.</p> <p>ForceGen’s patented, template-free method systematically applies 3D physical manipulations to explore the geometrical configurations of your ligands, generating ensembles of low-energy conformers. It can evaluate complex macrocycles in minutes, with the option of applying NMR constraints to increase search efficiency.</p> </div> <div class="flags__item-pills nflm"> <p class="flags__item-pills-heading is-style-typestyle-h6">Publications</p> <ul class="flags__item-pills-list"> <li> <a href="https://optibrium.com/methodology/forcegen/" class="g-button is-small">ForceGen</a> </li> </ul> </div> </div> <div class="flags__item-media"> <div class="flags__item-media-inner "> <div class="img-fit"><img decoding="async" width="768" height="768" src="data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAxMDAwIDEwMDAiIHdpZHRoPSIxMDAwIiBoZWlnaHQ9IjEwMDAiIGRhdGEtdT0iaHR0cHMlM0ElMkYlMkZvcHRpYnJpdW0uY29tJTJGd3AtY29udGVudCUyRnVwbG9hZHMlMkYyMDI0JTJGMDUlMkZmb3JjZWdlbl9zcV9oZF92Mi5qcGciIGRhdGEtdz0iMTAwMCIgZGF0YS1oPSIxMDAwIj48L3N2Zz4=" data-spai="1" class="attachment-medium_large size-medium_large" alt="ForceGen in action modelling macrocyclic compounds" srcset=" " sizes="(max-width: 768px) 100vw, 768px" /></div> </div> </div> </div> <div class="flags__item"> <div class="flags__item-inner nflm"> <h2 class="flags__item-heading is-style-typestyle-h3 has-tags"> Extensively validated and fully automated docking <span>with Surflex-Dock</span> </h2> <div class="flags__item-content nflm"> <p>Access top-tier docking enrichment and accurate pose prediction with reliable automated docking procedures. Automate protein preparation and reduce inappropriate bias with Surflex-Dock’s easy-to-use workflows. Surflex-Dock supports your 3D structure-based design efforts, allowing you to model ligands from small molecules to large macrocycles.</p> <p>With Surflex-Dock, ensembles of protein conformations take into account the variability in the binding pocket and relevant interactions, to give a more realistic picture of molecular docking.</p> <p>Surflex-Dock enables highly accurate non-cognate ligand docking, so you can correctly predict poses for future potential ligands for your protein complex, making use of known prior bound ligand poses with eSim.</p> </div> <div class="flags__item-pills nflm"> <p class="flags__item-pills-heading is-style-typestyle-h6">Publications</p> <ul class="flags__item-pills-list"> <li> <a href="https://optibrium.com/methodology/surflex-dock/" class="g-button is-small">Surflex-Dock</a> </li> </ul> </div> </div> <div class="flags__item-media"> <div class="flags__item-media-inner "> <div class="img-fit"><img decoding="async" width="768" height="704" src="data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAxMTc4IDEwODAiIHdpZHRoPSIxMTc4IiBoZWlnaHQ9IjEwODAiIGRhdGEtdT0iaHR0cHMlM0ElMkYlMkZvcHRpYnJpdW0uY29tJTJGd3AtY29udGVudCUyRnVwbG9hZHMlMkYyMDI0JTJGMDUlMkZTdXJmbGV4LURvY2tfc3EucG5nIiBkYXRhLXc9IjExNzgiIGRhdGEtaD0iMTA4MCI+PC9zdmc+" data-spai="1" class="attachment-medium_large size-medium_large" alt="Docking as studied using the Surflex-Dock" srcset=" " sizes="(max-width: 768px) 100vw, 768px" /></div> </div> </div> </div> <div class="flags__item"> <div class="flags__item-inner nflm"> <h2 class="flags__item-heading is-style-typestyle-h3 has-tags"> Explore 3D structure-activity relationships <span>with eSim</span> </h2> <div class="flags__item-content nflm"> <p>Looking for fast, reliable 3D ligand-based drug design and virtual screening? eSim considers molecular similarity from a protein’s perspective of a ligand, creating a surface representation of the molecule based on shape, electrostatic field, and hydrogen-bond preferences. This information can then be used to:</p> <ul> <li>Carry out large scale, high performance 3D virtual screening against known actives to find novel potent compounds</li> <li>Achieve significantly higher enrichment in your virtual screens than leading competitors</li> <li>Inform 3D design with industry-leading pose prediction</li> </ul> <p>eSim is also available as part of our <a href="https://optibrium.com/products/stardrop/">StarDrop</a> drug discovery platform, so you can include 3D ligand-based drug design as part of your integrative, intuitive drug discovery workflow.</p> </div> <div class="flags__item-pills nflm"> <p class="flags__item-pills-heading is-style-typestyle-h6">Publications</p> <ul class="flags__item-pills-list"> <li> <a href="https://optibrium.com/methodology/esim/" class="g-button is-small">eSim</a> </li> <li> </li> </ul> </div> </div> <div class="flags__item-media"> <div class="flags__item-media-inner "> <div class="img-fit"><img decoding="async" width="768" height="768" src="data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAxMDAwIDEwMDAiIHdpZHRoPSIxMDAwIiBoZWlnaHQ9IjEwMDAiIGRhdGEtdT0iaHR0cHMlM0ElMkYlMkZvcHRpYnJpdW0uY29tJTJGd3AtY29udGVudCUyRnVwbG9hZHMlMkYyMDI0JTJGMDUlMkZlc2ltX3NxX2hkLmpwZyIgZGF0YS13PSIxMDAwIiBkYXRhLWg9IjEwMDAiPjwvc3ZnPg==" data-spai="1" class="attachment-medium_large size-medium_large" alt="eSim molecular similarity model" srcset=" " sizes="(max-width: 768px) 100vw, 768px" /></div> </div> </div> </div> <div class="flags__item"> <div class="flags__item-inner nflm"> <h2 class="flags__item-heading is-style-typestyle-h3 has-tags"> Predict binding affinities <span>with QuanSA</span> </h2> <div class="flags__item-content nflm"> <p>The BioPharmics QuanSA (Quantitative Surface-field Analysis) method lets you predict the affinity of your ligands using machine learning models based on physical principles. QuanSA’s 3D ligand-based models achieve equivalent accuracy to market-leading methods such as FEP+, while providing transferablility, even across scaffolds. With QuanSA, you can:</p> <ul> <li>Predict binding affinity without protein structural information</li> <li>Build accurate affinity models, even with only a small number of known actives</li> <li>Find novel active compounds with prediction confidence metrics</li> </ul> </div> <div class="flags__item-pills nflm"> <p class="flags__item-pills-heading is-style-typestyle-h6">Publications</p> <ul class="flags__item-pills-list"> <li> <a href="https://optibrium.com/methodology/quansa/" class="g-button is-small">QuanSA</a> </li> <li> </li> </ul> </div> </div> <div class="flags__item-media"> <div class="flags__item-media-inner "> <div class="img-fit"><img decoding="async" width="768" height="768" src="data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAxMDAwIDEwMDAiIHdpZHRoPSIxMDAwIiBoZWlnaHQ9IjEwMDAiIGRhdGEtdT0iaHR0cHMlM0ElMkYlMkZvcHRpYnJpdW0uY29tJTJGd3AtY29udGVudCUyRnVwbG9hZHMlMkYyMDI0JTJGMDUlMkZxdWFuc2Ffc3FfaGQuanBnIiBkYXRhLXc9IjEwMDAiIGRhdGEtaD0iMTAwMCI+PC9zdmc+" data-spai="1" class="attachment-medium_large size-medium_large" alt="A QuanSA pocket field model" srcset=" " sizes="(max-width: 768px) 100vw, 768px" /></div> </div> </div> </div> </div> </div> </div> </section> <h2 class="wp-block-heading has-text-align-center">We’re <em>delivering trust</em></h2> <p class="has-text-align-center">Optibrium’s BioPharmics platform delivers trust and is verified for use by our customers including those shown below.</p> <figure class="wp-block-image aligncenter size-full"><a href="https://www.rapafusyn.com/" target="_blank" rel="noreferrer noopener"><img decoding="async" width="500" height="66" src="data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCA1MDAgNjYiIHdpZHRoPSI1MDAiIGhlaWdodD0iNjYiIGRhdGEtdT0iaHR0cHMlM0ElMkYlMkZvcHRpYnJpdW0uY29tJTJGd3AtY29udGVudCUyRnVwbG9hZHMlMkYyMDI0JTJGMDglMkZsb2dvLVJhcGFmdXN5bi5wbmciIGRhdGEtdz0iNTAwIiBkYXRhLWg9IjY2Ij48L3N2Zz4=" data-spai="1" alt="Rapafusyn logo" class="wp-image-5683" /></a></figure> <section id="resources" class="cards wp-block alignfull"> <div class="cards__outer"> <div class="cards__inner"> <div class="cards__header"> <h2 aria-label="More structured-based drug design resources" class="cards__heading is-style-typestyle-h1 has-tags">More structured-based drug design <span>resources</span></h2> </div> <div class="cards__items"> <article class="g-card is-webinar on-demand has-image has-link"> <div class="g-card__outer"> <div class="g-card__inner"> <span class="g-card__top-meta"> On-demand </span> <h2 class="g-card__heading"><a href="https://optibrium.com/webinars/macrocyclic-lead-optimisation/">Macrocyclic lead optimisation</a> </h2> <div class="g-card__content"> <p>Macrocycles are becoming increasingly popular in drug discovery, due to their vast potential against previously “undruggable” targets. But the size…</p> </div> </div> <div class="g-card__footer"> <div class="g-card__labels"> <div class="g-card__labels__items"> <a href="https://optibrium.com/topic/3d-molecular-design/" class="g-button is-small">3D molecular design</a> </div> </div> <div class="g-card__meta"> 15 May 2024 </div> </div> </div> <div class="g-card__media img-fit"> <img decoding="async" width="768" height="512" src="data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAxMjAwIDgwMCIgd2lkdGg9IjEyMDAiIGhlaWdodD0iODAwIiBkYXRhLXU9Imh0dHBzJTNBJTJGJTJGb3B0aWJyaXVtLmNvbSUyRndwLWNvbnRlbnQlMkZ1cGxvYWRzJTJGMjAyNCUyRjA1JTJGTWFjcm9jeWNsZS13ZWJpbmFyLmpwZyIgZGF0YS13PSIxMjAwIiBkYXRhLWg9IjgwMCI+PC9zdmc+" data-spai="1" class="attachment-medium_large size-medium_large" alt="" id="5381" srcset=" " sizes="(max-width: 768px) 100vw, 768px" /> </div> </article> <article class="g-card is-knowledge-base is-publication has-image has-link"> <div class="g-card__outer"> <div class="g-card__inner"> <h2 class="g-card__heading"><a href="https://optibrium.com/knowledge-base/does-your-model-weigh-the-same-as-a-duck/">Does your model weigh the same as a Duck?</a> </h2> <div class="g-card__content"> <p>This article discusses logic fallacies in the context of off-target predictive modelling.</p> </div> </div> <div class="g-card__footer"> <div class="g-card__labels"> <div class="g-card__labels__items"> <a href="https://optibrium.com/topic/3d-molecular-design/" class="g-button is-small">3D molecular design</a> </div> </div> <div class="g-card__meta"> 21 December 2011 </div> </div> </div> <div class="g-card__media img-fit"> <img decoding="async" width="768" height="512" src="data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAxMjAwIDgwMCIgd2lkdGg9IjEyMDAiIGhlaWdodD0iODAwIiBkYXRhLXU9Imh0dHBzJTNBJTJGJTJGb3B0aWJyaXVtLmNvbSUyRndwLWNvbnRlbnQlMkZ1cGxvYWRzJTJGMjAyMSUyRjA1JTJGUHVibGljYXRpb25zLXBsYWNlaG9sZGVyLmpwZyIgZGF0YS13PSIxMjAwIiBkYXRhLWg9IjgwMCI+PC9zdmc+" data-spai="1" class="attachment-medium_large size-medium_large" alt="" id="4633" srcset=" " sizes="(max-width: 768px) 100vw, 768px" /> </div> </article> <article class="g-card is-resource has-image has-link"> <div class="g-card__outer"> <div class="g-card__inner"> <h2 class="g-card__heading"><a href="https://optibrium.com/resources/enamine-screening-collection/">Enamine screening collection</a> </h2> <div class="g-card__content"> <p>StarDrop users who have licensed the Surflex eSim3D module can freely download prepared virtual screening collections for use in StarDrop. Enamine’s commercially available screening…</p> </div> </div> <div class="g-card__footer"> <div class="g-card__labels"> <div class="g-card__labels__items"> <a href="https://optibrium.com/topic/virtual-screening/" class="g-button is-small">Virtual Screening</a> </div> </div> <div class="g-card__meta"> 21 June 2024 </div> </div> </div> <div class="g-card__media img-fit"> <img decoding="async" width="768" height="512" src="data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAxMjAwIDgwMCIgd2lkdGg9IjEyMDAiIGhlaWdodD0iODAwIiBkYXRhLXU9Imh0dHBzJTNBJTJGJTJGb3B0aWJyaXVtLmNvbSUyRndwLWNvbnRlbnQlMkZ1cGxvYWRzJTJGMjAyMyUyRjExJTJGQ29sbGVjdGlvbi5qcGciIGRhdGEtdz0iMTIwMCIgZGF0YS1oPSI4MDAiPjwvc3ZnPg==" data-spai="1" class="attachment-medium_large size-medium_large" alt="" id="4626" srcset=" " sizes="(max-width: 768px) 100vw, 768px" /> </div> </article> </div> </div> </div> </section> <section id="contact-form" class="two-column-content wp-block alignwide"> <div class="two-column-content__outer"> <div class="two-column-content__column nflm is-first"> <h2 aria-label="Interested in upgrading your 3D drug design?" class="two-column-content__heading is-style-typestyle-h1 has-tags"><span>Interested in upgrading</span> your 3D drug design?</h2> <div class="two-column-content__content nflm"> <p>Complete the form and a member of our team will be happy to chat about how the BioPharmics platform could support your workflows.</p> </div> </div> <div class="two-column-content__column is-second nflm"> <script charset="utf-8" type="text/javascript" src="//js-eu1.hsforms.net/forms/embed/v2.js"></script> <script> hbspt.forms.create({ region: "eu1", portalId: "26508147", formId: "ec444ccd-5df5-4a96-af51-461f5ab723f6", sfdcCampaignId: "7018e0000011SLNAA2" }); </script> </div> </div> </section> </div> </div> </main> <footer class="site-footer"> <div class="site-footer__inner alignwide"> <div class="site-footer__top"> <div class="site-footer__logo"> <a 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