{"id":631,"date":"2024-10-03T12:00:01","date_gmt":"2024-10-03T16:00:01","guid":{"rendered":"https:\/\/sites.temple.edu\/voelzlab\/?p=631"},"modified":"2024-11-29T14:11:03","modified_gmt":"2024-11-29T19:11:03","slug":"new-fah-blog-post-predicting-drugs-lipophilicity-with-foldinghome","status":"publish","type":"post","link":"https:\/\/sites.temple.edu\/voelzlab\/2024\/10\/03\/new-fah-blog-post-predicting-drugs-lipophilicity-with-foldinghome\/","title":{"rendered":"New FAH blog post: Predicting drugs\u2019 lipophilicity with Folding@home"},"content":{"rendered":"\n<p>We wrote a new blog post on Folding@home! To accompany the release of a new preprint, we wrote an explainer about &#8220;logP&#8221; and our work using distributed simulations to estimate chemical properties for drug discovery. Check it out: <a href=\"https:\/\/foldingathome.org\/2024\/10\/03\/predicting-drugs-lipophilicity-with-foldinghome\/\">https:\/\/foldingathome.org\/2024\/10\/03\/predicting-drugs-lipophilicity-with-foldinghome\/<\/a><\/p>\n\n\n<div class=\"wp-block-image\">\n<figure class=\"aligncenter size-large is-resized\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"541\" src=\"https:\/\/sites.temple.edu\/voelzlab\/files\/2024\/10\/LogP_graphic-1024x541.png\" alt=\"\" class=\"wp-image-633\" style=\"width:435px;height:auto\" srcset=\"https:\/\/sites.temple.edu\/voelzlab\/files\/2024\/10\/LogP_graphic-1024x541.png 1024w, https:\/\/sites.temple.edu\/voelzlab\/files\/2024\/10\/LogP_graphic-300x159.png 300w, https:\/\/sites.temple.edu\/voelzlab\/files\/2024\/10\/LogP_graphic-768x406.png 768w, https:\/\/sites.temple.edu\/voelzlab\/files\/2024\/10\/LogP_graphic-1536x812.png 1536w, https:\/\/sites.temple.edu\/voelzlab\/files\/2024\/10\/LogP_graphic.png 1756w\" sizes=\"auto, (max-width: 767px) 89vw, (max-width: 1000px) 54vw, (max-width: 1071px) 543px, 580px\" \/><\/figure>\n<\/div>\n\n\n<p><strong>Expanded ensemble predictions of toluene\u2013water partition coefficients in the SAMPL9 LogP challenge<\/strong>. Steven Goold, Robert M. Raddi, and Vincent A. Voelz.&nbsp;<em>ChemRxiv<\/em>&nbsp;<a href=\"https:\/\/doi.org\/10.26434\/chemrxiv-2024-rfkkp\">https:\/\/doi.org\/10.26434\/chemrxiv-2024-rfkkp<\/a><\/p>\n\n\n\n<p><\/p>\n","protected":false},"excerpt":{"rendered":"<p>We wrote a new blog post on Folding@home! To accompany the release of a new preprint, we wrote an explainer about &#8220;logP&#8221; and our work using distributed simulations to estimate chemical properties for drug discovery. Check it out: https:\/\/foldingathome.org\/2024\/10\/03\/predicting-drugs-lipophilicity-with-foldinghome\/ Expanded ensemble predictions of toluene\u2013water partition coefficients in the SAMPL9 LogP challenge. Steven Goold, Robert M. &hellip; <\/p>\n<p class=\"link-more\"><a href=\"https:\/\/sites.temple.edu\/voelzlab\/2024\/10\/03\/new-fah-blog-post-predicting-drugs-lipophilicity-with-foldinghome\/\" class=\"more-link\">Continue reading<span class=\"screen-reader-text\"> &#8220;New FAH blog post: Predicting drugs\u2019 lipophilicity with Folding@home&#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-631","post","type-post","status-publish","format-standard","hentry","category-uncategorized"],"_links":{"self":[{"href":"https:\/\/sites.temple.edu\/voelzlab\/wp-json\/wp\/v2\/posts\/631","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=631"}],"version-history":[{"count":3,"href":"https:\/\/sites.temple.edu\/voelzlab\/wp-json\/wp\/v2\/posts\/631\/revisions"}],"predecessor-version":[{"id":638,"href":"https:\/\/sites.temple.edu\/voelzlab\/wp-json\/wp\/v2\/posts\/631\/revisions\/638"}],"wp:attachment":[{"href":"https:\/\/sites.temple.edu\/voelzlab\/wp-json\/wp\/v2\/media?parent=631"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/sites.temple.edu\/voelzlab\/wp-json\/wp\/v2\/categories?post=631"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/sites.temple.edu\/voelzlab\/wp-json\/wp\/v2\/tags?post=631"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}