{"id":85,"date":"2026-07-29T11:56:20","date_gmt":"2026-07-29T09:56:20","guid":{"rendered":"https:\/\/www.ub.edu\/cadrugdesign\/?page_id=85"},"modified":"2026-07-29T12:16:18","modified_gmt":"2026-07-29T10:16:18","slug":"software","status":"publish","type":"page","link":"https:\/\/www.ub.edu\/cadrugdesign\/software\/","title":{"rendered":"Software"},"content":{"rendered":"\n<h2 class=\"wp-block-heading has-accent-color has-text-color has-link-color wp-elements-9a3ea55d4c28142cf318b5c07ce4a20f\"><strong><em>VVV&nbsp;&nbsp;Vini, Vidi, Vinci<\/em><\/strong><\/h2>\n\n\n\n<p class=\"wp-block-paragraph\">Our&nbsp;<em>in house<\/em>&nbsp;software platform to develop and implement old and new algorithms for Structure-Based Drug Design studies:<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><em><strong>Dock_Dyn&nbsp;<\/strong><\/em>: A program for molecular docking based on dynamic information<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><em><strong>Gen_Desc<\/strong><\/em>&nbsp; : A program to generate different descriptors<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><em><strong>Gen_QSAR<\/strong><\/em>: A program to perform QSAR analysis<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><em><strong>Gen_Conf<\/strong><\/em>&nbsp; : A program to generate molecular conformations and to analyse pharmacophores<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><em><strong>Fuzzy_CMeans<\/strong><\/em>&nbsp;: Clustering using the Fuzzy c-means algorithm and different modifications<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><em><strong>Anal_SimDis<\/strong><\/em>&nbsp;: A program to compare different Distances and Similarities&nbsp;<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><em><strong>Quimio_Gen&nbsp;<\/strong><\/em>&nbsp;: A Quimiogenomics analysis of Data<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><strong><em>Virtual_Screening<\/em><\/strong>&nbsp;: A program for Virtual Screening<\/p>\n\n\n<style>.kadence-column85_685dea-41 > .kt-inside-inner-col,.kadence-column85_685dea-41 > .kt-inside-inner-col:before{border-top-left-radius:0px;border-top-right-radius:0px;border-bottom-right-radius:0px;border-bottom-left-radius:0px;}.kadence-column85_685dea-41 > .kt-inside-inner-col{column-gap:var(--global-kb-gap-sm, 1rem);}.kadence-column85_685dea-41 > .kt-inside-inner-col{flex-direction:column;}.kadence-column85_685dea-41 > .kt-inside-inner-col > .aligncenter{width:100%;}.kadence-column85_685dea-41 > .kt-inside-inner-col:before{opacity:0.3;}.kadence-column85_685dea-41{position:relative;}@media all and (max-width: 1024px){.kadence-column85_685dea-41 > .kt-inside-inner-col{flex-direction:column;justify-content:center;}}@media all and (max-width: 767px){.kadence-column85_685dea-41 > .kt-inside-inner-col{flex-direction:column;justify-content:center;}}<\/style>\n<div class=\"wp-block-kadence-column kadence-column85_685dea-41\"><div class=\"kt-inside-inner-col\">\n<h2 class=\"wp-block-heading has-accent-color has-text-color has-link-color wp-elements-36bf2d62fcea5d7fc21f20ee6de03c16\"><em>fdGaMD<\/em><\/h2>\n\n\n\n<p class=\"has-black-color has-text-color has-link-color wp-elements-b0411a1fc397ea8bf11e1b8a8fe8aa57 wp-block-paragraph\"><strong>Fragment dissolved molecular dynamics: a systematic and efficient method to locate binding sites.<\/strong><\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><a href=\"https:\/\/github.com\/DrugDesignUBUJA\/fdMD\">https:\/\/github.com\/DrugDesignUBUJA\/fdMD<\/a><\/p>\n<\/div><\/div>\n\n\n\n<p class=\"wp-block-paragraph\"><\/p>\n","protected":false},"excerpt":{"rendered":"<p>VVV&nbsp;&nbsp;Vini, Vidi, Vinci Our&nbsp;in house&nbsp;software platform to develop and implement old and new algorithms for Structure-Based Drug Design studies: Dock_Dyn&nbsp;:<\/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-85","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/www.ub.edu\/cadrugdesign\/wp-json\/wp\/v2\/pages\/85","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.ub.edu\/cadrugdesign\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/www.ub.edu\/cadrugdesign\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/www.ub.edu\/cadrugdesign\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ub.edu\/cadrugdesign\/wp-json\/wp\/v2\/comments?post=85"}],"version-history":[{"count":6,"href":"https:\/\/www.ub.edu\/cadrugdesign\/wp-json\/wp\/v2\/pages\/85\/revisions"}],"predecessor-version":[{"id":92,"href":"https:\/\/www.ub.edu\/cadrugdesign\/wp-json\/wp\/v2\/pages\/85\/revisions\/92"}],"wp:attachment":[{"href":"https:\/\/www.ub.edu\/cadrugdesign\/wp-json\/wp\/v2\/media?parent=85"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}