{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,3]],"date-time":"2026-04-03T19:54:30Z","timestamp":1775246070057,"version":"3.50.1"},"reference-count":70,"publisher":"Informa UK Limited","issue":"18","funder":[{"DOI":"10.13039\/501100001412","name":"Council of Scientific and Industrial Research","doi-asserted-by":"crossref","id":[{"id":"10.13039\/501100001412","id-type":"DOI","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100010803","name":"Department of Biotechnology","doi-asserted-by":"crossref","award":["BT\/PR5711\/BID\/7\/406\/2012"],"award-info":[{"award-number":["BT\/PR5711\/BID\/7\/406\/2012"]}],"id":[{"id":"10.13039\/501100010803","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Journal of Biomolecular Structure and Dynamics"],"published-print":{"date-parts":[[2019,12,12]]},"DOI":"10.1080\/07391102.2018.1559765","type":"journal-article","created":{"date-parts":[[2018,12,22]],"date-time":"2018-12-22T08:26:58Z","timestamp":1545467218000},"page":"4747-4766","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":10,"title":["Predictive models for designing potent tyrosine kinase inhibitors in chronic myeloid leukemia for understanding its molecular mechanism of resistance by molecular docking and dynamics simulations"],"prefix":"10.1080","volume":"37","author":[{"given":"Anu R.","family":"Melge","sequence":"first","affiliation":[{"name":"Centre for Nanosciences and Molecular Medicine, Amrita Institute of Medical Sciences and Research Centre, Amrita Vishwa Vidyapeetham, Kochi Campus, Kerala State, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lekshmi G.","family":"Kumar","sequence":"additional","affiliation":[{"name":"Centre for Nanosciences and Molecular Medicine, Amrita Institute of Medical Sciences and Research Centre, Amrita Vishwa Vidyapeetham, Kochi Campus, Kerala State, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Pavithran","family":"K","sequence":"additional","affiliation":[{"name":"Centre for Nanosciences and Molecular Medicine, Amrita Institute of Medical Sciences and Research Centre, Amrita Vishwa Vidyapeetham, Kochi Campus, Kerala State, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Shantikumar V.","family":"Nair","sequence":"additional","affiliation":[{"name":"Centre for Nanosciences and Molecular Medicine, Amrita Institute of Medical Sciences and Research Centre, Amrita Vishwa Vidyapeetham, Kochi Campus, Kerala State, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Manzoor","family":"K","sequence":"additional","affiliation":[{"name":"Centre for Nanosciences and Molecular Medicine, Amrita Institute of Medical Sciences and Research Centre, Amrita Vishwa Vidyapeetham, Kochi Campus, Kerala State, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2056-7189","authenticated-orcid":false,"given":"Gopi Mohan","family":"C","sequence":"additional","affiliation":[{"name":"Centre for Nanosciences and Molecular Medicine, Amrita Institute of Medical Sciences and Research Centre, Amrita Vishwa Vidyapeetham, Kochi Campus, Kerala State, India"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"301","published-online":{"date-parts":[[2019,2,22]]},"reference":[{"key":"CIT0001","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijbiomac.2017.11.126"},{"key":"CIT0002","doi-asserted-by":"publisher","DOI":"10.1038\/srep06948"},{"key":"CIT0003","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijbiomac.2017.10.106"},{"key":"CIT0004","doi-asserted-by":"publisher","DOI":"10.1080\/10799893.2016.1212376"},{"key":"CIT0005","doi-asserted-by":"publisher","DOI":"10.1021\/ci9501047"},{"key":"CIT0006","volume-title":"AMBER 12","author":"Case D. A.","year":"2012"},{"key":"CIT0007","doi-asserted-by":"publisher","DOI":"10.1007\/s00277-015-2325-z"},{"key":"CIT0008","doi-asserted-by":"publisher","DOI":"10.1039\/C6ME00083E"},{"key":"CIT0009","doi-asserted-by":"publisher","DOI":"10.1177\/1078155217710553"},{"key":"CIT0010","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2013.01.113"},{"key":"CIT0011","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"CIT0012","unstructured":"Dassault Syst\u00e8mes BIOVIA (2017). Discovery Studio, 2017 R2. San Diego, CA: Dassault Syst\u00e8mes."},{"key":"CIT0013","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2007.08.002"},{"key":"CIT0014","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.6b00138"},{"key":"CIT0015","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-015-0109-z"},{"key":"CIT0016","doi-asserted-by":"publisher","DOI":"10.1007\/s11899-015-0248-3"},{"key":"CIT0017","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1321173111"},{"key":"CIT0018","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2018.01.032"},{"key":"CIT0019","doi-asserted-by":"crossref","first-page":"689","DOI":"10.1002\/minf.201100029","volume":"30","author":"Gupta S.","year":"2011","journal-title":"Molecular Informatics"},{"key":"CIT0020","doi-asserted-by":"publisher","DOI":"10.1021\/ci100275a"},{"key":"CIT0021","doi-asserted-by":"publisher","DOI":"10.1021\/jm100395q"},{"key":"CIT0022","doi-asserted-by":"publisher","DOI":"10.1016\/j.clml.2015.03.006"},{"key":"CIT0023","doi-asserted-by":"publisher","DOI":"10.12688\/f1000research.8357.2"},{"key":"CIT0024","volume-title":"Concepts and applications of molecular similarity","author":"Johnson M. A.","year":"1990"},{"key":"CIT0025","doi-asserted-by":"publisher","DOI":"10.1177\/1010428317701643"},{"key":"CIT0026","doi-asserted-by":"publisher","DOI":"10.1182\/blood-2012-05-431379"},{"key":"CIT0027","doi-asserted-by":"publisher","DOI":"10.1016\/j.jtbi.2017.08.023"},{"key":"CIT0028","doi-asserted-by":"publisher","DOI":"10.1021\/acsmedchemlett.7b00022"},{"key":"CIT0029","doi-asserted-by":"publisher","DOI":"10.1002\/cncr.23355"},{"key":"CIT0030","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijbiomac.2018.01.084"},{"key":"CIT0031","doi-asserted-by":"publisher","DOI":"10.1021\/ct300418h"},{"key":"CIT0032","doi-asserted-by":"publisher","DOI":"10.1007\/s00894-009-0591-1"},{"key":"CIT0033","doi-asserted-by":"publisher","DOI":"10.1007\/s00706-011-0510-x"},{"key":"CIT0034","doi-asserted-by":"publisher","DOI":"10.6004\/jnccn.2014.0159"},{"key":"CIT0035","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2009.09.028"},{"key":"CIT0036","doi-asserted-by":"crossref","first-page":"138","DOI":"10.1182\/blood.V126.23.138.138","volume":"126","author":"Ottmann O. G.","year":"2015","journal-title":"Blood"},{"key":"CIT0037","doi-asserted-by":"publisher","DOI":"10.1111\/cbdd.12977"},{"key":"CIT0038","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0012029"},{"key":"CIT0039","volume-title":"ChemBioOffice\u00ae Ultra 13.0, 14.0.0.117","author":"PerkinElmer I","year":"2014"},{"key":"CIT0040","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2018.1462731"},{"key":"CIT0041","doi-asserted-by":"publisher","DOI":"10.1002\/jcb.26257"},{"key":"CIT0042","first-page":"151","volume":"8","author":"Ramdass B.","year":"2013","journal-title":"Journal of Stem Cells"},{"key":"CIT0043","doi-asserted-by":"publisher","DOI":"10.1021\/ci00020a020"},{"key":"CIT0044","doi-asserted-by":"publisher","DOI":"10.1038\/243290a0"},{"key":"CIT0045","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-319-56850-8"},{"key":"CIT0046","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23231"},{"key":"CIT0047","volume-title":"Understanding the basics of QSAR for applications in pharmaceutical sciences and risk assessment","author":"Roy K.","year":"2015"},{"key":"CIT0048","doi-asserted-by":"publisher","DOI":"10.1891\/9781617052705"},{"key":"CIT0049","doi-asserted-by":"publisher","DOI":"10.1007\/s12254-016-0299-8"},{"key":"CIT0050","volume-title":"Schr\u00f6dinger Release 2014-4","year":"2014"},{"key":"CIT0051","volume-title":"Schr\u00f6dinger Release 2014-4","year":"2014"},{"key":"CIT0052","volume-title":"Schr\u00f6dinger Release 2014-4","year":"2014"},{"key":"CIT0053","doi-asserted-by":"publisher","DOI":"10.1016\/S1535-6108(02)00096-X"},{"key":"CIT0054","doi-asserted-by":"publisher","DOI":"10.2174\/1568026617666170821124512"},{"key":"CIT0055","doi-asserted-by":"publisher","DOI":"10.1021\/mp400762h"},{"key":"CIT0056","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2017.10.010"},{"key":"CIT0057","doi-asserted-by":"publisher","DOI":"10.2174\/156802610791111506"},{"key":"CIT0058","doi-asserted-by":"publisher","DOI":"10.7150\/jca.18731"},{"key":"CIT0059","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0078556"},{"key":"CIT0060","doi-asserted-by":"publisher","DOI":"10.1021\/ci400644r"},{"key":"CIT0061","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2011.04.060"},{"key":"CIT0062","doi-asserted-by":"publisher","DOI":"10.1021\/ci600426e"},{"key":"CIT0063","doi-asserted-by":"publisher","DOI":"10.1042\/BCJ20170220"},{"key":"CIT1000","doi-asserted-by":"publisher","DOI":"10.1021\/jm100492z"},{"key":"CIT0064","doi-asserted-by":"publisher","DOI":"10.2174\/1389557516999160629101709"},{"key":"CIT0065","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejphar.2017.06.001"},{"key":"CIT0066","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2009.03.109"},{"key":"CIT0067","first-page":"49","volume":"10","author":"Wieczorek A.","year":"2015","journal-title":"Biomarker Insights"},{"key":"CIT0068","doi-asserted-by":"publisher","DOI":"10.1021\/ci9800211"},{"key":"CIT0069","doi-asserted-by":"publisher","DOI":"10.1111\/j.1747-0285.2010.01054.x"}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2018.1559765","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2020,9,5]],"date-time":"2020-09-05T23:19:36Z","timestamp":1599347976000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2018.1559765"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019,2,22]]},"references-count":70,"journal-issue":{"issue":"18","published-print":{"date-parts":[[2019,12,12]]}},"alternative-id":["10.1080\/07391102.2018.1559765"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2018.1559765","relation":{},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"value":"0739-1102","type":"print"},{"value":"1538-0254","type":"electronic"}],"subject":[],"published":{"date-parts":[[2019,2,22]]},"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":"2018-11-02","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2018-12-06","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2019-02-22","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}