{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,12]],"date-time":"2026-05-12T20:12:50Z","timestamp":1778616770406,"version":"3.51.4"},"reference-count":28,"publisher":"Informa UK Limited","issue":"2","content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Journal of Biomolecular Structure and Dynamics"],"published-print":{"date-parts":[[2021,1,22]]},"DOI":"10.1080\/07391102.2020.1712258","type":"journal-article","created":{"date-parts":[[2020,1,7]],"date-time":"2020-01-07T06:47:02Z","timestamp":1578379622000},"page":"656-671","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":13,"title":["Structure-based virtual screening, free energy of binding and molecular dynamics simulations to propose novel inhibitors of Mtb-MurB oxidoreductase enzyme"],"prefix":"10.1080","volume":"39","author":[{"given":"Sonam","family":"Nirwan","sequence":"first","affiliation":[{"name":"Computational Chemistry Laboratory, Department of Chemistry, University of Delhi, Delhi, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Varun","family":"Chahal","sequence":"additional","affiliation":[{"name":"Computational Chemistry Laboratory, Department of Chemistry, University of Delhi, Delhi, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Rita","family":"Kakkar","sequence":"additional","affiliation":[{"name":"Computational Chemistry Laboratory, Department of Chemistry, University of Delhi, Delhi, India"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"301","published-online":{"date-parts":[[2020,1,25]]},"reference":[{"key":"CIT0001","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(83)90014-1"},{"key":"CIT0002","doi-asserted-by":"publisher","DOI":"10.1016\/S0960-894X(00)00073-1"},{"key":"CIT0003","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2018.1546620"},{"key":"CIT0004","doi-asserted-by":"publisher","DOI":"10.1021\/bi002162d"},{"key":"CIT0005","doi-asserted-by":"publisher","DOI":"10.1021\/bi962221g"},{"key":"CIT0006","doi-asserted-by":"publisher","DOI":"10.1016\/S0960-894X(02)01076-4"},{"key":"CIT0007","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0066936"},{"key":"CIT0008","doi-asserted-by":"publisher","DOI":"10.1186\/1741-7007-9-71"},{"key":"CIT0009","doi-asserted-by":"publisher","DOI":"10.1046\/j.1365-2958.2003.03289.x"},{"key":"CIT0010","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbapap.2017.11.013"},{"key":"CIT0011","first-page":"21","volume-title":"Bacillus subtilis and its closest relatives","author":"Foster S. J.","year":"2002"},{"key":"CIT0012","doi-asserted-by":"publisher","DOI":"10.1016\/j.cbpa.2006.04.002"},{"key":"CIT0013","doi-asserted-by":"publisher","DOI":"10.1016\/s0960-894x(00)00172-4"},{"key":"CIT0014","first-page":"50","volume":"1","author":"Kakkar R.","year":"2011","journal-title":"International Journal of Pharmaceutics"},{"key":"CIT0015","doi-asserted-by":"publisher","DOI":"10.1021\/bi051533t"},{"key":"CIT0016","doi-asserted-by":"publisher","DOI":"10.2174\/157340991004150518145522"},{"key":"CIT0017","doi-asserted-by":"publisher","DOI":"10.1016\/j.ddtec.2004.11.007"},{"key":"CIT0018","doi-asserted-by":"publisher","DOI":"10.1016\/S1359-6446(02)02483-2"},{"key":"CIT0019","doi-asserted-by":"publisher","DOI":"10.1021\/jm060522a"},{"key":"CIT0020","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.200700094"},{"key":"CIT0021","doi-asserted-by":"publisher","DOI":"10.6026\/97320630003384"},{"key":"CIT0022","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-008-9182-y"},{"key":"CIT0023","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21372"},{"key":"CIT0024","doi-asserted-by":"publisher","DOI":"10.1111\/j.1747-0285.2005.00327.x"},{"key":"CIT0025","doi-asserted-by":"publisher","DOI":"10.1111\/cbdd.12051"},{"key":"CIT0026","doi-asserted-by":"publisher","DOI":"10.1063\/1.442716"},{"key":"CIT0027","doi-asserted-by":"publisher","DOI":"10.1021\/ci050034w"},{"key":"CIT0028","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.50.2.556-564.2006"}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2020.1712258","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,2,1]],"date-time":"2021-02-01T12:57:20Z","timestamp":1612184240000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2020.1712258"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,1,25]]},"references-count":28,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2021,1,22]]}},"alternative-id":["10.1080\/07391102.2020.1712258"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2020.1712258","relation":{},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"value":"0739-1102","type":"print"},{"value":"1538-0254","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,1,25]]},"assertion":[{"value":"The publishing and review policy for this title is described in its Aims & Scope.","order":1,"name":"peerreview_statement","label":"Peer Review Statement"},{"value":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=tbsd20","URL":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=tbsd20","order":2,"name":"aims_and_scope_url","label":"Aim & Scope"},{"value":"2019-05-21","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2019-12-31","order":1,"name":"revised","label":"Revised","group":{"name":"publication_history","label":"Publication History"}},{"value":"2020-01-02","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2020-01-25","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}