{"id":760,"date":"2026-09-15T09:17:00","date_gmt":"2026-09-15T13:17:00","guid":{"rendered":"https:\/\/sites.temple.edu\/voelzlab\/?p=760"},"modified":"2026-10-15T09:22:22","modified_gmt":"2026-10-15T13:22:22","slug":"voelz-lab-starts-ncems-project-to-build-ai-models-of-protein-allostery","status":"publish","type":"post","link":"https:\/\/sites.temple.edu\/voelzlab\/2026\/09\/15\/voelz-lab-starts-ncems-project-to-build-ai-models-of-protein-allostery\/","title":{"rendered":"Voelz Lab starts NCEMS project to build AI models of protein allostery"},"content":{"rendered":"\n<p>The Voelz Lab, along with the <a href=\"https:\/\/banuozkanlab.com\/\">Banu Ozkan group<\/a> at Arizona State University and the <a href=\"https:\/\/sites.psu.edu\/okaforlab\/\">Denise Okafor group<\/a> at Penn State University has been selected as one of <a href=\"https:\/\/ncems.psu.edu\/2026\/02\/13\/announcing-the-2nd-cohort-of-ncems-working-groups\/\">six new Working Groups<\/a> supported by the <a href=\"https:\/\/ncems.psu.edu\/\">National Synthesis Center for Emergence in the Molecular and Cellular Sciences<\/a> (NCEMS). Our project, &#8220;Emergent order parameters of allostery: an AI framework for predicting and engineering protein regulation&#8221; is aimed at integrating molecular dynamics (MD) simulations, deep mutational scanning (DMS), and evolutionary information to compute dynamic coupling features that track how perturbations propagate through proteins. The end goal is a freely available machine learning tool to predict and design allostery in proteins.<\/p>\n\n\n\n<p><a href=\"https:\/\/ncems.psu.edu\/\">NCEMS<\/a> is an <a href=\"https:\/\/www.nsf.gov\/\">NSF<\/a>-funded center whose mission is to leverage data science and AI to synthesize publicly available datasets to answer fundamental questions about molecular and cellular biology.<\/p>\n\n\n\n<p>One aspect of our proposed work involves generating new MD datasets on <a href=\"https:\/\/foldingathome.org\/\">Folding@home<\/a>, so stay tuned for more updates about this project in the near future!\u00a0<br><\/p>\n\n\n\n<p><\/p>\n","protected":false},"excerpt":{"rendered":"<p>The Voelz Lab, along with the Banu Ozkan group at Arizona State University and the Denise Okafor group at Penn State University has been selected as one of six new Working Groups supported by the National Synthesis Center for Emergence in the Molecular and Cellular Sciences (NCEMS). Our project, &#8220;Emergent order parameters of allostery: an &hellip; <\/p>\n<p class=\"link-more\"><a href=\"https:\/\/sites.temple.edu\/voelzlab\/2026\/09\/15\/voelz-lab-starts-ncems-project-to-build-ai-models-of-protein-allostery\/\" class=\"more-link\">Continue reading<span class=\"screen-reader-text\"> &#8220;Voelz Lab starts NCEMS project to build AI models of protein allostery&#8221;<\/span><\/a><\/p>\n","protected":false},"author":1258,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[1],"tags":[],"class_list":["post-760","post","type-post","status-publish","format-standard","hentry","category-uncategorized"],"_links":{"self":[{"href":"https:\/\/sites.temple.edu\/voelzlab\/wp-json\/wp\/v2\/posts\/760","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/sites.temple.edu\/voelzlab\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/sites.temple.edu\/voelzlab\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/sites.temple.edu\/voelzlab\/wp-json\/wp\/v2\/users\/1258"}],"replies":[{"embeddable":true,"href":"https:\/\/sites.temple.edu\/voelzlab\/wp-json\/wp\/v2\/comments?post=760"}],"version-history":[{"count":1,"href":"https:\/\/sites.temple.edu\/voelzlab\/wp-json\/wp\/v2\/posts\/760\/revisions"}],"predecessor-version":[{"id":761,"href":"https:\/\/sites.temple.edu\/voelzlab\/wp-json\/wp\/v2\/posts\/760\/revisions\/761"}],"wp:attachment":[{"href":"https:\/\/sites.temple.edu\/voelzlab\/wp-json\/wp\/v2\/media?parent=760"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/sites.temple.edu\/voelzlab\/wp-json\/wp\/v2\/categories?post=760"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/sites.temple.edu\/voelzlab\/wp-json\/wp\/v2\/tags?post=760"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}