{"id":96,"date":"2022-04-14T19:49:42","date_gmt":"2022-04-14T18:49:42","guid":{"rendered":"https:\/\/wp.lancs.ac.uk\/colab\/?p=96"},"modified":"2022-07-30T20:01:41","modified_gmt":"2022-07-30T19:01:41","slug":"investigating-machine-learning-techniques-for-drug-re-purpose","status":"publish","type":"post","link":"https:\/\/wp.lancs.ac.uk\/colab\/2022\/04\/14\/investigating-machine-learning-techniques-for-drug-re-purpose\/","title":{"rendered":"Investigating Machine Learning Techniques for Drug Re-purpose"},"content":{"rendered":"<p>In collaboration with friends of Federal University of Vi\u00e7osa (UFV), we investigated machine learning techniques in order to find potential existing drugs that could be used to inhibit the Covid-19 virus. The work, &#8220;Computational prediction of potential inhibitors for SARS-COV-2 main protease based on machine learning, docking, MM-PBSA calculations, and metadynamics&#8221; was published at PLOS ONE, and it is available <a href=\"https:\/\/journals.plos.org\/plosone\/article?id=10.1371\/journal.pone.0267471\">here<\/a>. <\/p>\n<p>Source code and datasets are available in the Github repository at <a href=\"https:\/\/github.com\/IsabelaGomes\/Prediction_SARSCOV2_inhibitors\">https:\/\/github.com\/IsabelaGomes\/Prediction_SARSCOV2_inhibitors<\/a>.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>In collaboration with friends of Federal University of Vi\u00e7osa (UFV), we investigated machine learning techniques in order to find potential existing drugs that could be used to inhibit the Covid-19 virus. The work, &#8220;Computational prediction of potential inhibitors for SARS-COV-2 main protease based on machine learning, docking, MM-PBSA calculations, and metadynamics&#8221; was published at PLOS [&hellip;]<\/p>\n","protected":false},"author":1432,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_jetpack_memberships_contains_paid_content":false,"footnotes":""},"categories":[3],"tags":[],"class_list":["post-96","post","type-post","status-publish","format-standard","hentry","category-news"],"jetpack_featured_media_url":"","jetpack_sharing_enabled":true,"_links":{"self":[{"href":"https:\/\/wp.lancs.ac.uk\/colab\/wp-json\/wp\/v2\/posts\/96","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/wp.lancs.ac.uk\/colab\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/wp.lancs.ac.uk\/colab\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/wp.lancs.ac.uk\/colab\/wp-json\/wp\/v2\/users\/1432"}],"replies":[{"embeddable":true,"href":"https:\/\/wp.lancs.ac.uk\/colab\/wp-json\/wp\/v2\/comments?post=96"}],"version-history":[{"count":1,"href":"https:\/\/wp.lancs.ac.uk\/colab\/wp-json\/wp\/v2\/posts\/96\/revisions"}],"predecessor-version":[{"id":97,"href":"https:\/\/wp.lancs.ac.uk\/colab\/wp-json\/wp\/v2\/posts\/96\/revisions\/97"}],"wp:attachment":[{"href":"https:\/\/wp.lancs.ac.uk\/colab\/wp-json\/wp\/v2\/media?parent=96"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/wp.lancs.ac.uk\/colab\/wp-json\/wp\/v2\/categories?post=96"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/wp.lancs.ac.uk\/colab\/wp-json\/wp\/v2\/tags?post=96"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}