{"id":2027,"date":"2022-08-21T06:36:13","date_gmt":"2022-08-21T06:36:13","guid":{"rendered":"http:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/?page_id=2027"},"modified":"2022-08-21T06:40:38","modified_gmt":"2022-08-21T06:40:38","slug":"ht3-t5-how-to-perform-ensemble-docking-with-gold","status":"publish","type":"page","link":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/ht3-t5-how-to-perform-ensemble-docking-with-gold\/","title":{"rendered":"HT3 T5: How to perform ensemble docking with GOLD?"},"content":{"rendered":"<p><strong>HT3: Databases<img loading=\"lazy\" decoding=\"async\" class=\" wp-image-1990 alignright\" src=\"http:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-content\/uploads\/2022\/08\/rchikhale-232x300.jpg\" alt=\"\" width=\"148\" height=\"191\" srcset=\"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-content\/uploads\/2022\/08\/rchikhale-232x300.jpg 232w, https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-content\/uploads\/2022\/08\/rchikhale-793x1024.jpg 793w, https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-content\/uploads\/2022\/08\/rchikhale-768x992.jpg 768w, https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-content\/uploads\/2022\/08\/rchikhale-1189x1536.jpg 1189w, https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-content\/uploads\/2022\/08\/rchikhale.jpg 1315w\" sizes=\"auto, (max-width: 148px) 100vw, 148px\" \/><\/strong><\/p>\n<h4>T5 (tutorial): How to perform ensemble docking with GOLD?<\/h4>\n<p><strong>Rupesh Chikhale<\/strong><br \/>\nResearch and Application Scientist<br \/>\nCambridge Crystallographic Data Centre<br \/>\nCambridge, UK<\/p>\n<p>&nbsp;<\/p>\n<p>In this hands-on session participants will learn how to perform ensemble docking using the CCDC&#8217;s docking software GOLD.<\/p>\n<p>Learning outcomes:<\/p>\n<ul>\n<li>The basics of ensemble docking.<\/li>\n<li>How to use the Hermes interface, the CCDC\u2019s 3D visualizer for proteins.<\/li>\n<li>Step-by-step set-up of an ensemble docking simulation in GOLD, including:\n<ul>\n<li>Superimposing the protein structures;<\/li>\n<li>Binding site definition;<\/li>\n<li>Ligand selection and ligand flexibility;<\/li>\n<li>Functional waters.<\/li>\n<\/ul>\n<\/li>\n<li>Visualization and analysis of ensemble docking results.<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>HT3: Databases T5 (tutorial): How to perform ensemble docking with GOLD? Rupesh Chikhale Research and Application Scientist Cambridge Crystallographic Data Centre Cambridge, UK &nbsp; In this hands-on session participants will learn how to perform ensemble docking using the CCDC&#8217;s docking software GOLD. Learning outcomes: The basics of ensemble docking. How to use the Hermes interface, [&hellip;]<\/p>\n","protected":false},"author":2,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"ngg_post_thumbnail":0,"footnotes":""},"class_list":["post-2027","page","type-page","status-publish","hentry"],"aioseo_notices":[],"_links":{"self":[{"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-json\/wp\/v2\/pages\/2027","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-json\/wp\/v2\/comments?post=2027"}],"version-history":[{"count":0,"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-json\/wp\/v2\/pages\/2027\/revisions"}],"wp:attachment":[{"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-json\/wp\/v2\/media?parent=2027"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}