{"id":4681,"date":"2023-05-12T12:53:46","date_gmt":"2023-05-12T17:53:46","guid":{"rendered":"https:\/\/www.vanderbilt.edu\/csb\/?p=4681"},"modified":"2023-05-12T12:53:46","modified_gmt":"2023-05-12T17:53:46","slug":"moe-workshop-scheduled-for-structure-based-drug-design","status":"publish","type":"post","link":"https:\/\/www.vanderbilt.edu\/csb\/2023\/05\/12\/moe-workshop-scheduled-for-structure-based-drug-design\/","title":{"rendered":"MOE workshop scheduled for structure-based drug design"},"content":{"rendered":"

\"\"<\/a>In collaboration with the Lee<\/a>, Mchaourab<\/a> and Carrasco<\/a> labs, the CSB<\/a> is upgrading from four seats of the Molecular Operating Environment (MOE) to a site license that offers unlimited tokens.<\/p>\n

MOE enables a wide range of molecular modeling methods inside a modern and well-organized GUI. These include, but are not limited to, structure- and ligand-based design, virtual screening, structural bioinformatics and cheminformatics tools. The new license will enable CSB and other 91³Ô¹ÏÍø labs to run MOE on more systems, including the clusters for running larger compute-intensive jobs like virtual screening.<\/p>\n

On the third Wednesday of each month for the next six months, Chemical Computing Group<\/a> will present Zoom-based MOE workshops for 91³Ô¹ÏÍø. The first workshop is scheduled for Wednesday, May 17, from 1pm \u2013 3pm central time. It will cover introductory structure based design topics, such as molecular surfaces and maps, ligand interactions, docking, ligand optimization, ligand selectivity as well as protein alignments and superposition.<\/p>\n

Add this workshop to your calendar.<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

In collaboration with the Lee, Mchaourab and Carrasco labs, the CSB is upgrading from four seats of the Molecular Operating Environment (MOE) to a site license that offers unlimited tokens. MOE enables a wide range of molecular modeling methods inside a modern and well-organized GUI. These include, but are not limited to, structure- and ligand-based…<\/p>\n","protected":false},"author":1185,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"spay_email":"","jetpack_publicize_message":"","jetpack_is_tweetstorm":false,"jetpack_publicize_feature_enabled":true},"categories":[1],"tags":[],"acf":[],"jetpack_featured_media_url":"","jetpack_publicize_connections":[],"jetpack_sharing_enabled":true,"_links":{"self":[{"href":"https:\/\/www.vanderbilt.edu\/csb\/wp-json\/wp\/v2\/posts\/4681"}],"collection":[{"href":"https:\/\/www.vanderbilt.edu\/csb\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.vanderbilt.edu\/csb\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.vanderbilt.edu\/csb\/wp-json\/wp\/v2\/users\/1185"}],"replies":[{"embeddable":true,"href":"https:\/\/www.vanderbilt.edu\/csb\/wp-json\/wp\/v2\/comments?post=4681"}],"version-history":[{"count":2,"href":"https:\/\/www.vanderbilt.edu\/csb\/wp-json\/wp\/v2\/posts\/4681\/revisions"}],"predecessor-version":[{"id":4684,"href":"https:\/\/www.vanderbilt.edu\/csb\/wp-json\/wp\/v2\/posts\/4681\/revisions\/4684"}],"wp:attachment":[{"href":"https:\/\/www.vanderbilt.edu\/csb\/wp-json\/wp\/v2\/media?parent=4681"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.vanderbilt.edu\/csb\/wp-json\/wp\/v2\/categories?post=4681"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.vanderbilt.edu\/csb\/wp-json\/wp\/v2\/tags?post=4681"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}