{"id":726,"date":"2023-07-05T17:08:09","date_gmt":"2023-07-05T17:08:09","guid":{"rendered":"https:\/\/htcc6.org\/?page_id=726"},"modified":"2023-10-11T10:23:27","modified_gmt":"2023-10-11T09:23:27","slug":"ht4-t6-how-to-perform-ensemble-docking-with-gold","status":"publish","type":"page","link":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc6\/ht4-t6-how-to-perform-ensemble-docking-with-gold\/","title":{"rendered":"HT4 T6: HOW TO PERFORM ENSEMBLE DOCKING WITH GOLD?"},"content":{"rendered":"\t\t<div data-elementor-type=\"wp-page\" data-elementor-id=\"726\" class=\"elementor elementor-726\" data-elementor-post-type=\"page\">\n\t\t\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-9f2e336 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"9f2e336\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-19f1d75\" data-id=\"19f1d75\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-31ba3a0 elementor-widget elementor-widget-text-editor\" data-id=\"31ba3a0\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t\t\t<p style=\"text-align: justify;\"><strong>HT4: Databases<\/strong><\/p><h4 style=\"text-align: justify;\">T6 (tutorial): How to perform ensemble docking with GOLD?<\/h4><p style=\"text-align: justify;\">In this hands-on session participants will learn how to perform ensemble docking using the CCDC\u2019s docking software GOLD.<\/p><p style=\"text-align: justify;\">Learning outcomes:<\/p><ul style=\"text-align: justify;\"><li>The basics of ensemble docking.<\/li><li>How to use the Hermes interface, the CCDC\u2019s 3D visualizer for proteins.<\/li><li>Step-by-step set-up of an ensemble docking simulation in GOLD, including:<ul><li>Superimposing the protein structures;<\/li><li>Binding site definition;<\/li><li>Ligand selection and ligand flexibility;<\/li><li>Functional waters.<\/li><\/ul><\/li><li>Visualization and analysis of ensemble docking results.<\/li><\/ul><p style=\"text-align: justify;\">\u00a0<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-2127741 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"2127741\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-2930d20\" data-id=\"2930d20\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-9d037ff elementor-widget elementor-widget-image\" data-id=\"9d037ff\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"image.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img fetchpriority=\"high\" decoding=\"async\" width=\"800\" height=\"470\" src=\"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc6\/wp-content\/uploads\/2023\/10\/GOLD-2-1024x601.png\" class=\"attachment-large size-large wp-image-2244\" alt=\"\" srcset=\"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc6\/wp-content\/uploads\/2023\/10\/GOLD-2-1024x601.png 1024w, https:\/\/hrvatska-udruga-kristalografa.hr\/htcc6\/wp-content\/uploads\/2023\/10\/GOLD-2-300x176.png 300w, https:\/\/hrvatska-udruga-kristalografa.hr\/htcc6\/wp-content\/uploads\/2023\/10\/GOLD-2-768x451.png 768w, https:\/\/hrvatska-udruga-kristalografa.hr\/htcc6\/wp-content\/uploads\/2023\/10\/GOLD-2.png 1327w\" sizes=\"(max-width: 800px) 100vw, 800px\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<\/div>\n\t\t","protected":false},"excerpt":{"rendered":"<p>HT4: Databases T6 (tutorial): How to perform ensemble docking with GOLD? In this hands-on session participants will learn how to perform ensemble docking using the CCDC\u2019s docking software GOLD. Learning outcomes: The basics of ensemble docking. How to use the Hermes interface, the CCDC\u2019s 3D visualizer for proteins. Step-by-step set-up of an ensemble docking simulation [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-726","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc6\/wp-json\/wp\/v2\/pages\/726","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc6\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc6\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc6\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc6\/wp-json\/wp\/v2\/comments?post=726"}],"version-history":[{"count":18,"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc6\/wp-json\/wp\/v2\/pages\/726\/revisions"}],"predecessor-version":[{"id":2357,"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc6\/wp-json\/wp\/v2\/pages\/726\/revisions\/2357"}],"wp:attachment":[{"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc6\/wp-json\/wp\/v2\/media?parent=726"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}