{"id":40540,"date":"2026-05-16T18:49:04","date_gmt":"2026-05-16T22:49:04","guid":{"rendered":"https:\/\/www.bu.edu\/hic\/?page_id=40540"},"modified":"2026-05-28T08:02:05","modified_gmt":"2026-05-28T12:02:05","slug":"ai-for-characterizing-and-designing-biomolecular-interactions","status":"publish","type":"page","link":"https:\/\/www.bu.edu\/hic\/ai-for-characterizing-and-designing-biomolecular-interactions\/","title":{"rendered":"AI for Characterizing and Designing Biomolecular Interactions"},"content":{"rendered":"<h2 style=\"text-align: left;\"><b>Focused Research Program<\/b><\/h2>\n<h3><b>Our Focus<\/b><\/h3>\n<p><span style=\"font-weight: 400;\">This FRP will establish BU as a leader in the application and interpretation of biological foundation models for biomedical research. The program pursues two cross-cutting scientific goals\u2014developing principled fine-tuning strategies for adapting foundation models to new biochemical problems and building interpretability tools that reveal what these models encode about biomolecular interactions\u2014executed across three complementary interaction regimes that together enable cross-domain comparison no single-domain project could achieve. The interdisciplinary collaboration is essential: the convergence of computational and experimental expertise across olfaction, antibody design, and biosensing is what makes the cross-domain comparison rigorous, and the shared infrastructure developed here will lower barriers to foundation model adoption across the broader BU biomedical research community.<\/span><\/p>\n<h3><b>Focused Research Program led by:<\/b><\/h3>\n<p><a href=\"https:\/\/www.bu.edu\/hic\/wp-admin\/post.php?post=28887&amp;action=edit\" target=\"_blank\" rel=\"noopener\"><b>Brian DePasquale<\/b><\/a><span style=\"font-weight: 400;\">,<\/span><span style=\"font-weight: 400;\"> Assistant Professor, Department of Biomedical Engineering, College of Engineering<\/span><\/p>\n<p><span style=\"font-weight: 400;\"><strong><a href=\"https:\/\/www.bu.edu\/hic\/wp-admin\/post.php?post=25938&amp;action=edit\" target=\"_blank\" rel=\"noopener\">Diane Joseph-McCarthy<\/a>, <\/strong>Executive Director, Bioengineering Technology &amp; Entrepreneurship Center (BTEC); Professor of the Practice, Department of Biomedical Engineering, College of Engineering<\/span><\/p>\n<p><a href=\"https:\/\/www.bu.edu\/hic\/wp-admin\/post.php?post=7293&amp;action=edit\" target=\"_blank\" rel=\"noopener\"><strong>James Galagan<\/strong><\/a>, Associate Professor, Department of Biomedical Engineering, College of Engineering<\/p>\n<h3><b>Research Thrusts<\/b><\/h3>\n<h4><b>1. <\/b><b>Interpretable AI Models for Understanding Odor<\/b><\/h4>\n<p><span style=\"font-weight: 400;\">The goal of this thrust is to develop and apply protein and chemical foundation models to predict olfactory receptor\u2013odorant interactions across invertebrate and mammalian species, use these models to guide experimental screens in the disease-vector mosquito <\/span><i><span style=\"font-weight: 400;\">Aedes aegypti<\/span><\/i><span style=\"font-weight: 400;\">, and build complementary interpretability approaches\u2014including evolutionary program synthesis and physics-based binding site detection\u2014to discover the human-readable biochemical rules that govern chemical sensing across species.<\/span><\/p>\n<div class=\"bu_collapsible_container \" aria-live=\"polite\" data-customize-animation=\"false\"><h5 class=\"bu_collapsible\" aria-expanded=\"false\"tabindex=\"0\" role=\"button\">Thrust Champions<\/h5><div class=\"bu_collapsible_section\" style=\"display: none;\"><\/p>\n<p>\n\t<div class=\"profile-listing\">\n\t\t<ul class=\"advanced\">\n\t\t\t\t\t\t\t\n<li class=\"has-title\">\n\t<a href=\"https:\/\/www.bu.edu\/hic\/profile\/brian-depasquale\/\">\n\t\t\t\t\t<figure><img width=\"150\" height=\"133\" src=\"\/hic\/files\/2025\/05\/BDD-636x562.jpg\" alt=\"\" \/><\/figure>\t\t\t\t<p class=\"profile-name\">Brian DePasquale, PhD<\/p>\n\t\t<p class=\"profile-title\">Assistant Professor, Biomedical Engineering, ENG<br \/>\r\nJunior Faculty Fellow (2024)<\/p>\t<\/a>\n<\/li>\n\t\t\t\t\t<\/ul>\n\t<\/div><!--\/.profile-listing-->\n<\/p>\n<p><\/div>\n<\/div>\n\n<div class=\"bu_collapsible_container \" aria-live=\"polite\" data-customize-animation=\"false\"><h5 class=\"bu_collapsible\" aria-expanded=\"false\"tabindex=\"0\" role=\"button\">Core & Affiliated Faculty<\/h5><div class=\"bu_collapsible_section\" style=\"display: none;\"><\/p>\n<p>\n\t<div class=\"profile-listing\">\n\t\t<ul class=\"advanced\">\n\t\t\t\t\t\t\t\n<li class=\"has-title\">\n\t<a href=\"https:\/\/www.bu.edu\/hic\/profile\/brian-cleary\/\">\n\t\t\t\t\t<figure><img width=\"150\" height=\"111\" src=\"\/hic\/files\/2023\/11\/BrianCleary_413x315.png\" alt=\"\" \/><\/figure>\t\t\t\t<p class=\"profile-name\">Brian Cleary<\/p>\n\t\t<p class=\"profile-title\">Assistant Professor of Computing and Data Sciences, Biomedical Engineering, Biology, and Bioinformatics<\/p>\t<\/a>\n<\/li>\n\t\t\t\t\t\t\t\n<li class=\"has-title\">\n\t<a href=\"https:\/\/www.bu.edu\/hic\/profile\/ian-davison\/\">\n\t\t\t\t\t<figure><img width=\"150\" height=\"150\" src=\"\/hic\/files\/2026\/05\/Screenshot-2024-09-23-at-5.20.46-PM-600x600-1.png\" alt=\"\" \/><\/figure>\t\t\t\t<p class=\"profile-name\">Ian Davison<\/p>\n\t\t<p class=\"profile-title\">Assistant Professor, Biology, College of Arts &#038; Sciences<\/p>\t<\/a>\n<\/li>\n\t\t\t\t\t\t\t\n<li class=\"has-title\">\n\t<a href=\"https:\/\/www.bu.edu\/hic\/profile\/brian-kulis\/\">\n\t\t\t\t\t<figure><img width=\"150\" height=\"150\" src=\"\/hic\/files\/2017\/09\/kulis.jpg\" alt=\"\" \/><\/figure>\t\t\t\t<p class=\"profile-name\">Brian Kulis, PhD<\/p>\n\t\t<p class=\"profile-title\">Professor, Engineering (ECE, SE), Computer Science, and Computing &#038; Data Sciences<\/p>\t<\/a>\n<\/li>\n\t\t\t\t\t\t\t\n<li class=\"has-title\">\n\t<a href=\"https:\/\/www.bu.edu\/hic\/profile\/meg-younger\/\">\n\t\t\t\t\t<figure><img width=\"150\" height=\"150\" src=\"\/hic\/files\/2026\/05\/Younger2022.png\" alt=\"\" \/><\/figure>\t\t\t\t<p class=\"profile-name\">Meg Younger<\/p>\n\t\t<p class=\"profile-title\">Assistant Professor, Biology, College of Arts &#038; Sciences<\/p>\t<\/a>\n<\/li>\n\t\t\t\t\t<\/ul>\n\t<\/div><!--\/.profile-listing-->\n<\/p>\n<p><\/div>\n<\/div>\n\n<h4><b>2. Foundation Models for Antibody Design<\/b><\/h4>\n<p><span style=\"font-weight: 400;\">The goal of this thrust is to develop and apply antibody-specific foundation models to predict and design antibody-antigen interactions. Building on the team&#8217;s AbCDR language model, we will extend these representations to predict antibody developability properties, classify antibodies by epitope recognition patterns, and design improved scFv antibodies for CAR T-cell therapy delivery.<\/span><\/p>\n<p>&nbsp;<\/p>\n<div class=\"bu_collapsible_container \" aria-live=\"polite\" data-customize-animation=\"false\"><h5 class=\"bu_collapsible\" aria-expanded=\"false\"tabindex=\"0\" role=\"button\">Thrust Champions<\/h5><div class=\"bu_collapsible_section\" style=\"display: none;\"><\/p>\n<p>\n\t<div class=\"profile-listing\">\n\t\t<ul class=\"advanced\">\n\t\t\t\t\t\t\t\n<li class=\"has-title\">\n\t<a href=\"https:\/\/www.bu.edu\/hic\/profile\/diane-joseph-mccarthy\/\">\n\t\t\t\t\t<figure><img width=\"150\" height=\"150\" src=\"\/hic\/files\/2022\/08\/Joseph-McCarthy_Diane-636x636.jpg\" alt=\"\" \/><\/figure>\t\t\t\t<p class=\"profile-name\">Diane Joseph-McCarthy, PhD<\/p>\n\t\t<p class=\"profile-title\">Professor of the Practice, Biomedical Engineering, College of Engineering<br \/>\r\nExecutive Director, Bioengineering Technology &#038; Entrepreneurship Center<\/p>\t<\/a>\n<\/li>\n\t\t\t\t\t<\/ul>\n\t<\/div><!--\/.profile-listing-->\n<\/p>\n<p><\/div>\n<\/div>\n\n<div class=\"bu_collapsible_container \" aria-live=\"polite\" data-customize-animation=\"false\"><h5 class=\"bu_collapsible\" aria-expanded=\"false\"tabindex=\"0\" role=\"button\">Core & Affiliated Faculty<\/h5><div class=\"bu_collapsible_section\" style=\"display: none;\"><\/p>\n<p>\n\t<div class=\"profile-listing\">\n\t\t<ul class=\"advanced\">\n\t\t\t\t\t\t\t\n<li class=\"has-title\">\n\t<a href=\"https:\/\/www.bu.edu\/hic\/profile\/john-misasi\/\">\n\t\t\t\t\t<figure><img width=\"150\" height=\"150\" src=\"\/hic\/files\/2026\/05\/Headshot-John-Misasi-600x600-1.png\" alt=\"\" \/><\/figure>\t\t\t\t<p class=\"profile-name\">John Misasi<\/p>\n\t\t<p class=\"profile-title\">Assistant Professor, Virology, Immunology &#038; Microbiology, Chobanian &#038; Avedisian School of Medicine<\/p>\t<\/a>\n<\/li>\n\t\t\t\t\t\t\t\n<li class=\"has-title\">\n\t<a href=\"https:\/\/www.bu.edu\/hic\/profile\/gareth-morgan\/\">\n\t\t\t\t\t<figure><img width=\"100\" height=\"150\" src=\"\/hic\/files\/2025\/07\/Gareth-Morgan.jpg\" alt=\"\" \/><\/figure>\t\t\t\t<p class=\"profile-name\">Gareth Morgan<\/p>\n\t\t<p class=\"profile-title\">Research Assistant Professor, Boston University Chobanian &#038; Avedisian School of Medicine<\/p>\t<\/a>\n<\/li>\n\t\t\t\t\t\t\t\n<li class=\"has-title\">\n\t<a href=\"https:\/\/www.bu.edu\/hic\/profile\/sandor-vajda\/\">\n\t\t\t\t\t<figure><img width=\"150\" height=\"150\" src=\"\/hic\/files\/2023\/09\/Sandor-Vadja.jpg\" alt=\"\" \/><\/figure>\t\t\t\t<p class=\"profile-name\">Sandor Vajda, Ph.D.<\/p>\n\t\t<p class=\"profile-title\">Professor, Biomedical Engineering,  Chemistry, Systems Engineering;<br \/>\r\nDirector, Biomolecular Engineering Research Center<\/p>\t<\/a>\n<\/li>\n\t\t\t\t\t\t\t\n<li class=\"has-title\">\n\t<a href=\"https:\/\/www.bu.edu\/hic\/profile\/wilson-wong\/\">\n\t\t\t\t\t<figure><img width=\"150\" height=\"150\" src=\"\/hic\/files\/2026\/05\/WongWilson-6_22c.png\" alt=\"\" \/><\/figure>\t\t\t\t<p class=\"profile-name\">Wilson Wong<\/p>\n\t\t<p class=\"profile-title\">Professor, BME, College of Engineering<\/p>\t<\/a>\n<\/li>\n\t\t\t\t\t<\/ul>\n\t<\/div><!--\/.profile-listing-->\n<\/p>\n<p><\/div>\n<\/div>\n\n<h4><b>3. Foundation Models to Design Molecular Interactions for Biosensing<\/b><\/h4>\n<p><span style=\"font-weight: 400;\">The goal of this thrust is to leverage protein foundation models to accelerate the discovery and engineering of steroid-sensing redox enzymes for hormone biosensor development, while developing and applying interpretability tools to determine what quantitative biophysical properties of enzyme-substrate interactions are encoded in foundation model representations and how fine-tuning reshapes those representations for biosensor-relevant prediction.<\/span><\/p>\n<div class=\"bu_collapsible_container \" aria-live=\"polite\" data-customize-animation=\"false\"><h5 class=\"bu_collapsible\" aria-expanded=\"false\"tabindex=\"0\" role=\"button\">Thrust Champions<\/h5><div class=\"bu_collapsible_section\" style=\"display: none;\"><\/p>\n<p>\n\t<div class=\"profile-listing\">\n\t\t<ul class=\"advanced\">\n\t\t\t\t\t\t\t\n<li class=\"has-title\">\n\t<a href=\"https:\/\/www.bu.edu\/hic\/profile\/james-galagan\/\">\n\t\t\t\t\t<figure><img width=\"147\" height=\"150\" src=\"\/hic\/files\/2015\/08\/James-Galagan_for-web-e1439829231570.jpg\" alt=\"\" \/><\/figure>\t\t\t\t<p class=\"profile-name\">James Galagan, PhD<\/p>\n\t\t<p class=\"profile-title\">Biomedical Engineering and Microbiology, ENG<\/p>\t<\/a>\n<\/li>\n\t\t\t\t\t<\/ul>\n\t<\/div><!--\/.profile-listing-->\n<\/p>\n<p><\/div>\n<\/div>\n\n<div class=\"bu_collapsible_container \" aria-live=\"polite\" data-customize-animation=\"false\"><h5 class=\"bu_collapsible\" aria-expanded=\"false\"tabindex=\"0\" role=\"button\">Core & Affiliated Faculty<\/h5><div class=\"bu_collapsible_section\" style=\"display: none;\"><\/p>\n<p>\n\t<div class=\"profile-listing\">\n\t\t<ul class=\"advanced\">\n\t\t\t\t\t\t\t\n<li class=\"has-title\">\n\t<a href=\"https:\/\/www.bu.edu\/hic\/profile\/karen-allen\/\">\n\t\t\t\t\t<figure><img width=\"150\" height=\"150\" src=\"\/hic\/files\/2023\/08\/Karen-Allen-1.jpg\" alt=\"\" \/><\/figure>\t\t\t\t<p class=\"profile-name\">Karen Allen<\/p>\n\t\t<p class=\"profile-title\">Chair, Department of Chemistry; Professor, Biological Chemistry; Professor, Materials Science and Engineering<\/p>\t<\/a>\n<\/li>\n\t\t\t\t\t\t\t\n<li class=\"has-title\">\n\t<a href=\"https:\/\/www.bu.edu\/hic\/profile\/alex-green\/\">\n\t\t\t\t\t<figure><img width=\"150\" height=\"150\" src=\"\/hic\/files\/2026\/05\/Green-Alexander-600x600-1.jpg\" alt=\"\" \/><\/figure>\t\t\t\t<p class=\"profile-name\">Alex Green<\/p>\n\t\t<p class=\"profile-title\">Associate Professor, Biomedical Engineering, College of Engineering<\/p>\t<\/a>\n<\/li>\n\t\t\t\t\t\t\t\n<li class=\"has-title\">\n\t<a href=\"https:\/\/www.bu.edu\/hic\/profile\/mark-grinstaff\/\">\n\t\t\t\t\t<figure><img width=\"109\" height=\"150\" src=\"\/hic\/files\/2026\/05\/MWG-photo-Copy1-218x300-1.jpg\" alt=\"\" \/><\/figure>\t\t\t\t<p class=\"profile-name\">Mark Grinstaff<\/p>\n\t\t<p class=\"profile-title\">William Fairfield Warren Distinguished Professor, Biomedical Engineering, College of Engineering<\/p>\t<\/a>\n<\/li>\n\t\t\t\t\t<\/ul>\n\t<\/div><!--\/.profile-listing-->\n<\/p>\n<p><\/div>\n<\/div>\n\n<h3><strong>Sponsor<\/strong><\/h3>\n<p>This Focused Research Program is funded by the <a href=\"https:\/\/www.bu.edu\/hic\/\" target=\"_blank\" rel=\"noopener\">Hariri Institute for Computing and Computational Science &amp; Engineering<\/a>.<\/p>\n<h3><strong>How to get involved?<\/strong><\/h3>\n<p><span>For program specific inquiries and questions, please contact FRP leaders: Brian DePasquale<\/span> (<a href=\"mailto:bddepasq@bu.edu\"><span style=\"font-weight: 400;\">bddepasq@bu.edu<\/span><\/a><span>) Diane Joseph-McCarthy (<span style=\"font-weight: 400;\"><a href=\"mailto:djosephm@bu.edu\">djosephm@bu.edu<\/a>)<\/span>, or <\/span>James Galagan (<a href=\"mailto:jgalag@bu.edu\"><span style=\"font-weight: 400;\">jgalag@bu.edu<\/span><\/a><span>).<\/span><\/p>\n<p>Faculty interested in submitting a Focused Research Programs proposal are strongly encouraged to discuss their ideas with Hariri Institute Director Yannis Paschalidis (<a href=\"mailto:yannisp@bu.edu\" target=\"_blank\" rel=\"noopener\">yannisp@bu.edu<\/a>).<\/p>\n<p><span>To learn more details about the Hariri Institute\u2019s Focused Research Programs,<\/span><span>\u00a0<\/span><a href=\"https:\/\/www.bu.edu\/hic\/how-to-get-involved\/for-faculty\/focused-research-programs\/\" target=\"_blank\" rel=\"noopener noreferrer\"><span>visit here.<\/span><\/a><span class=\"edit-link\"><\/span><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Focused Research Program Our Focus This FRP will establish BU as a leader in the application and interpretation of biological foundation models for biomedical research. The program pursues two cross-cutting scientific goals\u2014developing principled fine-tuning strategies for adapting foundation models to new biochemical problems and building interpretability tools that reveal what these models encode about biomolecular [&hellip;]<\/p>\n","protected":false},"author":10316,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":[],"_links":{"self":[{"href":"https:\/\/www.bu.edu\/hic\/wp-json\/wp\/v2\/pages\/40540"}],"collection":[{"href":"https:\/\/www.bu.edu\/hic\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/www.bu.edu\/hic\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/www.bu.edu\/hic\/wp-json\/wp\/v2\/users\/10316"}],"replies":[{"embeddable":true,"href":"https:\/\/www.bu.edu\/hic\/wp-json\/wp\/v2\/comments?post=40540"}],"version-history":[{"count":4,"href":"https:\/\/www.bu.edu\/hic\/wp-json\/wp\/v2\/pages\/40540\/revisions"}],"predecessor-version":[{"id":40552,"href":"https:\/\/www.bu.edu\/hic\/wp-json\/wp\/v2\/pages\/40540\/revisions\/40552"}],"wp:attachment":[{"href":"https:\/\/www.bu.edu\/hic\/wp-json\/wp\/v2\/media?parent=40540"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}