{"id":243507,"date":"2026-09-02T05:40:54","date_gmt":"2026-09-02T10:40:54","guid":{"rendered":"https:\/\/lifeboat.com\/blog\/2026\/09\/ai-informed-adaptiveflow-redefines-large-scale-cloud-computing-for-drug-discovery"},"modified":"2026-09-02T05:40:54","modified_gmt":"2026-09-02T10:40:54","slug":"ai-informed-adaptiveflow-redefines-large-scale-cloud-computing-for-drug-discovery","status":"publish","type":"post","link":"https:\/\/lifeboat.com\/blog\/2026\/09\/ai-informed-adaptiveflow-redefines-large-scale-cloud-computing-for-drug-discovery","title":{"rendered":"AI-informed AdaptiveFlow redefines large-scale cloud computing for drug discovery"},"content":{"rendered":"<p><a class=\"aligncenter blog-photo\" href=\"https:\/\/lifeboat.com\/blog.images\/ai-informed-adaptiveflow-redefines-large-scale-cloud-computing-for-drug-discovery2.jpg\"><\/a><\/p>\n<p>Researchers today announced AdaptiveFlow, an AI-informed platform that can virtually screen billions of drug-like molecules with a 1,000-fold reduction in computational costs over existing methods. Developed and validated by scientists from St. Jude Children\u2019s Research Hospital, University of Pavia, Dana Farber Cancer Institute and Harvard Medical School, AdaptiveFlow allows prohibitively expensive ultra-large virtual drug screens to be conducted routinely. The open-source platform was <a href=\"https:\/\/www.nature.com\/articles\/s41587-026-03217-x\" target=\"_blank\">published<\/a> today in Nature Biotechnology.<\/p>\n<p>The platform\u2019s framework demonstrated linear scaling up to 5.6 million virtual central processing units (CPUs)\u2014a new benchmark for cloud-based drug discovery\u2014allowing billions of molecules to be screened without loss of efficiency. As proof of concept, the team identified potent inhibitors for existing and emerging cancer targets for which few inhibitors are known.<\/p>\n<p>\u201cAdaptiveFlow is the next generation in automated drug discovery platforms for routine ultra-large virtual screenings,\u201d said co-corresponding author Christoph Gorgulla, Ph.D., Center of Excellence for Data-Driven Discovery, St. Jude Department of Structural Biology. \u201cWith this platform, we are able to screen 69 billion molecules, representing the largest ready-to-dock library in the world.\u201d<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Researchers today announced AdaptiveFlow, an AI-informed platform that can virtually screen billions of drug-like molecules with a 1,000-fold reduction in computational costs over existing methods. Developed and validated by scientists from St. Jude Children\u2019s Research Hospital, University of Pavia, Dana Farber Cancer Institute and Harvard Medical School, AdaptiveFlow allows prohibitively expensive ultra-large virtual drug screens [\u2026]<\/p>\n","protected":false},"author":427,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[11,6],"tags":[],"class_list":["post-243507","post","type-post","status-publish","format-standard","hentry","category-biotech-medical","category-robotics-ai"],"_links":{"self":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/posts\/243507","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/users\/427"}],"replies":[{"embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/comments?post=243507"}],"version-history":[{"count":0,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/posts\/243507\/revisions"}],"wp:attachment":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/media?parent=243507"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/categories?post=243507"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/tags?post=243507"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}