{"id":559,"date":"2024-11-21T05:47:04","date_gmt":"2024-11-21T05:47:04","guid":{"rendered":"https:\/\/jubilantbiosys.com\/new-staging\/?page_id=559"},"modified":"2025-01-30T05:33:39","modified_gmt":"2025-01-30T05:33:39","slug":"computational-chemistry","status":"publish","type":"page","link":"https:\/\/www.jubilantbiosys.com\/new-staging\/services\/computational-chemistry\/","title":{"rendered":"Computational Chemistry"},"content":{"rendered":"\n<div class=\"wp-block-group solutions-details-info-list\"><div class=\"wp-block-group__inner-container is-layout-constrained wp-block-group-is-layout-constrained\">\n<p class=\"wp-block-paragraph\">The team providing these computational chemistry services extensively utilizes in-house expertise in software development, curation and <a href=\"https:\/\/www.jubilantbiosys.com\/new-staging\/services\/structural-biology\/\"><strong>structural biology<\/strong><\/a> for driving molecular design.<\/p>\n\n\n\n<div class=\"wp-block-group solutions-details-head is-nowrap is-layout-flex wp-container-core-group-is-layout-8f761849 wp-block-group-is-layout-flex\">\n<h2 class=\"wp-block-heading\">Achievements<\/h2>\n<\/div>\n\n\n\n<div class=\"wp-block-group solutions-details-content mt-0\"><div class=\"wp-block-group__inner-container is-layout-constrained wp-block-group-is-layout-constrained\">\n<div class=\"wp-block-group solutions-details-tow-col-list mt-0 is-nowrap is-layout-flex wp-container-core-group-is-layout-8f761849 wp-block-group-is-layout-flex\">\n<div class=\"wp-block-group solutions-details-tow-col-list-inner\"><div class=\"wp-block-group__inner-container is-layout-constrained wp-block-group-is-layout-constrained\">\n<ul class=\"wp-block-list solutions-details-icon-list\">\n<li>The Jubilant modeling group is actively involved in over twenty&nbsp;<a href=\"https:\/\/www.jubilantbiosys.com\/new-staging\/integrated-drug-discovery-services\/\"><strong>integrated drug discovery<\/strong><\/a>&nbsp;projects and modeling collaborations.<\/li>\n\n\n\n<li>Jubilant\u2019s computational chemistry group played a critical role in the design and successful development of a multi-kinase inhibitor series for two different projects.<\/li>\n\n\n\n<li>Molecular modeling (structure-based drug design) techniques have been employed in the development of two clinical candidates (GPCR and kinase targets) and a backup candidate (protease target) for clinical trials.<\/li>\n<\/ul>\n<\/div><\/div>\n\n\n\n<div class=\"wp-block-group solutions-details-tow-col-list-inner\"><div class=\"wp-block-group__inner-container is-layout-constrained wp-block-group-is-layout-constrained\">\n<figure class=\"wp-block-image size-full is-resized\"><img loading=\"lazy\" decoding=\"async\" width=\"460\" height=\"400\" src=\"https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2024\/11\/Chemistry-Services-Computational-Chemistry.png\" alt=\"\" class=\"wp-image-11296\" style=\"object-fit:cover;width:290px;height:252px\" srcset=\"https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2024\/11\/Chemistry-Services-Computational-Chemistry.png 460w, https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2024\/11\/Chemistry-Services-Computational-Chemistry-300x261.png 300w\" sizes=\"auto, (max-width: 460px) 100vw, 460px\" \/><\/figure>\n<\/div><\/div>\n<\/div>\n\n\n\n<div class=\"wp-block-group solutions-details-head is-nowrap is-layout-flex wp-container-core-group-is-layout-8f761849 wp-block-group-is-layout-flex\">\n<h2 class=\"wp-block-heading\">Molecular Design Collaborations<\/h2>\n<\/div>\n\n\n\n<p class=\"mb-0 wp-block-paragraph\">Our team of computational chemists empowers drug discovery scientists to deploy ready-to-use models and make faster and wiser decisions.<\/p>\n\n\n\n<div class=\"wp-block-group my-0 is-vertical is-layout-flex wp-container-core-group-is-layout-4fc3f8e1 wp-block-group-is-layout-flex\">\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"1822\" height=\"1399\" src=\"https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2024\/12\/computational-chemistry-img.png\" alt=\"\" class=\"wp-image-12776\" srcset=\"https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2024\/12\/computational-chemistry-img.png 1822w, https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2024\/12\/computational-chemistry-img-300x230.png 300w, https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2024\/12\/computational-chemistry-img-1024x786.png 1024w, https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2024\/12\/computational-chemistry-img-768x590.png 768w, https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2024\/12\/computational-chemistry-img-1536x1179.png 1536w\" sizes=\"auto, (max-width: 1822px) 100vw, 1822px\" \/><\/figure>\n<\/div>\n\n\n\n<div class=\"wp-block-group solutions-details-head is-nowrap is-layout-flex wp-container-core-group-is-layout-8f761849 wp-block-group-is-layout-flex\">\n<h2 class=\"wp-block-heading\">The Tools Used for Computational Drug Discovery<\/h2>\n<\/div>\n\n\n\n<div class=\"wp-block-group solutions-details-tow-col-list mt-0 is-nowrap is-layout-flex wp-container-core-group-is-layout-8f761849 wp-block-group-is-layout-flex\">\n<div class=\"wp-block-group solutions-details-tow-col-list-inner\"><div class=\"wp-block-group__inner-container is-layout-constrained wp-block-group-is-layout-constrained\">\n<ul class=\"wp-block-list solutions-details-icon-list\">\n<li>Jubilant proprietary platforms for drug properties and shape-based searches.<\/li>\n\n\n\n<li>Curated small molecule databases containing over 2 million molecules, covering all therapeutically significant target classes: kinases, GPCRs, ion channels, NHRs, PDEs, proteases and a known drug database.<\/li>\n\n\n\n<li>Scaffold, bio-isostere and R-group databases.<\/li>\n\n\n\n<li>Internal software tools to facilitate the execution of complex modeling tasks.<\/li>\n<\/ul>\n<\/div><\/div>\n\n\n\n<div class=\"wp-block-group solutions-details-tow-col-list-inner\"><div class=\"wp-block-group__inner-container is-layout-constrained wp-block-group-is-layout-constrained\">\n<ul class=\"wp-block-list solutions-details-icon-list\">\n<li>Extensive databases of drugs and leads from the literature.<\/li>\n\n\n\n<li>Schrodinger molecular modeling and CIMPL chemoinformatics software platforms.<\/li>\n\n\n\n<li>Multi-core, high-performance workstation with GPU card for molecular dynamics,&nbsp;<a href=\"https:\/\/www.jubilantbiosys.com\/new-staging\/virtual-screening\/\">virtual screening<\/a>&nbsp;and quantum calculations.<\/li>\n<\/ul>\n<\/div><\/div>\n<\/div>\n\n\n\n<div class=\"wp-block-group solutions-details-head is-nowrap is-layout-flex wp-container-core-group-is-layout-8f761849 wp-block-group-is-layout-flex\">\n<h2 class=\"wp-block-heading\">The People Providing Expertise in a Range of Computational Chemistry Solutions<\/h2>\n<\/div>\n\n\n\n<div class=\"wp-block-group solutions-details-tow-col-list my-0 is-nowrap is-layout-flex wp-container-core-group-is-layout-8f761849 wp-block-group-is-layout-flex\">\n<div class=\"wp-block-group solutions-details-tow-col-list-inner\"><div class=\"wp-block-group__inner-container is-layout-constrained wp-block-group-is-layout-constrained\">\n<ul class=\"wp-block-list solutions-details-icon-list\">\n<li>A strong and highly diverse modeling team, proficient in all relevant aspects of drug design.<\/li>\n\n\n\n<li>Management with over thirty years of combined pharmaceutical industry experience.<\/li>\n<\/ul>\n<\/div><\/div>\n\n\n\n<div class=\"wp-block-group solutions-details-tow-col-list-inner\"><div class=\"wp-block-group__inner-container is-layout-constrained wp-block-group-is-layout-constrained\">\n<ul class=\"wp-block-list solutions-details-icon-list\">\n<li>Leadership with versatile skills in modeling, experienced in the development of drug candidates and marketed drugs.<\/li>\n\n\n\n<li>Senior leaders with a strong publication and patent record, covering diverse therapeutic targets and computational methodologies.<\/li>\n<\/ul>\n<\/div><\/div>\n<\/div>\n\n\n\n<div class=\"wp-block-group is-vertical is-layout-flex wp-container-core-group-is-layout-4fc3f8e1 wp-block-group-is-layout-flex\">\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"1827\" height=\"1550\" src=\"https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2024\/12\/computational-chemistry-img2.png\" alt=\"\" class=\"wp-image-12777\" srcset=\"https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2024\/12\/computational-chemistry-img2.png 1827w, https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2024\/12\/computational-chemistry-img2-300x255.png 300w, https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2024\/12\/computational-chemistry-img2-1024x869.png 1024w, https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2024\/12\/computational-chemistry-img2-768x652.png 768w, https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2024\/12\/computational-chemistry-img2-1536x1303.png 1536w\" sizes=\"auto, (max-width: 1827px) 100vw, 1827px\" \/><\/figure>\n<\/div>\n\n\n\n<div class=\"wp-block-group action-row\"><div class=\"wp-block-group__inner-container is-layout-constrained wp-block-group-is-layout-constrained\"><a href='#' class='action-btn' data-bs-toggle='modal' data-bs-target='#GetInTouchModal' data-bs-direction='right'>Get In Touch <i class='fa-solid fa-caret-right'><\/i><\/a><\/div><\/div>\n<\/div><\/div>\n<\/div><\/div>\n","protected":false},"excerpt":{"rendered":"<p>The team providing these computational chemistry services extensively utilizes in-house expertise in software development, curation and structural biology for driving molecular design. Achievements Molecular Design Collaborations Our team of computational chemists empowers drug discovery scientists to deploy ready-to-use models and make faster and wiser decisions. The Tools Used for Computational Drug Discovery The People Providing [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":11027,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"template-solutions-one.php","meta":{"_acf_changed":false,"footnotes":""},"class_list":["post-559","page","type-page","status-publish","hentry"],"acf":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.9 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Computational Chemistry Services for Drug Discovery<\/title>\n<meta name=\"description\" content=\"Jubilant offers various computational chemistry services including virtual screening, protein structure-based drug design and homology modeling. 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