{"id":14499,"date":"2025-05-22T15:48:21","date_gmt":"2025-05-22T22:48:21","guid":{"rendered":"https:\/\/www.hmc.edu\/clinic\/2025\/adding-human-scale-access-to-molecular-dynamics-simulation-infrastructure\/"},"modified":"2025-05-22T15:48:21","modified_gmt":"2025-05-22T22:48:21","slug":"adding-human-scale-access-to-molecular-dynamics-simulation-infrastructure","status":"publish","type":"post","link":"https:\/\/www.hmc.edu\/clinic\/2025\/adding-human-scale-access-to-molecular-dynamics-simulation-infrastructure\/","title":{"rendered":"Adding Human-scale Access to Molecular Dynamics Simulation Infrastructure"},"content":{"rendered":"<h2 class=\"project-sponsor-dept-year\"><span class=\"project-sponsor\">Lawrence Livermore National Laboratory<\/span> <span class=\"project-dept-year\">Computer Science\/Mathematics, 2024\u201325<\/span><\/h2>\n<div class=\"project-team\">\n<p><strong>Liaison(s):<\/strong> Fikret Aydin, Helgi Ingolfsson, Frederick H. Streitz \u201983, P\u201913, P\u201913<br \/>\n<strong>Advisor(s):<\/strong> Naim Matasci<br \/>\n<strong>Students(s):<\/strong> Bryce Tu Chi, Stephanie Fulcar, Jonathan Ipe, Olivia Schleifer, Rohan Subramanian (TL-S), Claire Vlases (TL-F)<\/p>\n<\/div>\n<div class=\"project-abstract\">\nLawrence Livermore National Laboratory conducts molecular dynamics simulations of protein-membrane interactions, which are highly relevant in cancer but cannot be directly experimentally observed. Recent work on ultra coarse-grained simulations enables longer timescales and more diverse conformations that would be impossible at the atomic scale. In response, the Clinic team developed automated workflows to integrate ultra coarse-grained simulations into a multiscale infrastructure. Additionally, the team worked on making this software more accessible to new users on smaller computing systems, enabling cross-institutional collaboration.\n<\/div>\n","protected":false},"excerpt":{"rendered":"<p>Lawrence Livermore National Laboratory Computer Science\/Mathematics, 2024\u201325 Liaison(s): Fikret Aydin, Helgi Ingolfsson, Frederick H. Streitz \u201983, P\u201913, P\u201913 Advisor(s): Naim [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":""},"categories":[140,185],"tags":[163],"class_list":["post-14499","post","type-post","status-publish","format-standard","hentry","category-computer-science","category-mathematics","tag-lawrence-livermore-national-laboratory"],"acf":[],"_links":{"self":[{"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/posts\/14499","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/comments?post=14499"}],"version-history":[{"count":1,"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/posts\/14499\/revisions"}],"predecessor-version":[{"id":14544,"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/posts\/14499\/revisions\/14544"}],"wp:attachment":[{"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/media?parent=14499"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/categories?post=14499"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/tags?post=14499"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}