{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,19]],"date-time":"2026-05-19T10:41:56Z","timestamp":1779187316145,"version":"3.51.4"},"reference-count":67,"publisher":"Informa UK Limited","issue":"15","funder":[{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","doi-asserted-by":"publisher","award":["441911\/2014-5"],"award-info":[{"award-number":["441911\/2014-5"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002322","name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior","doi-asserted-by":"publisher","award":["Scholarships"],"award-info":[{"award-number":["Scholarships"]}],"id":[{"id":"10.13039\/501100002322","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100007801","name":"Fundaci\u00f3n S\u00e9neca","doi-asserted-by":"publisher","award":["18"],"award-info":[{"award-number":["18"]}],"id":[{"id":"10.13039\/100007801","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100007801","name":"Fundaci\u00f3n S\u00e9neca","doi-asserted-by":"publisher","award":["946\/JLI\/13"],"award-info":[{"award-number":["946\/JLI\/13"]}],"id":[{"id":"10.13039\/100007801","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100007801","name":"Fundaci\u00f3n S\u00e9neca","doi-asserted-by":"publisher","award":["18946\/JLI\/13"],"award-info":[{"award-number":["18946\/JLI\/13"]}],"id":[{"id":"10.13039\/100007801","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Journal of Biomolecular Structure and Dynamics"],"published-print":{"date-parts":[[2018,11,18]]},"DOI":"10.1080\/07391102.2017.1407259","type":"journal-article","created":{"date-parts":[[2017,11,27]],"date-time":"2017-11-27T05:53:14Z","timestamp":1511761994000},"page":"4045-4056","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":6,"title":["Antithrombin conformational modulation by D-myo-inositol 3,4,5,6-tetrakisphosphate (TMI), a novel scaffold for the development of antithrombotic agents"],"prefix":"10.1080","volume":"36","author":[{"given":"Pablo Ricardo","family":"Arantes","sequence":"first","affiliation":[{"name":"Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Avenida Bento Gon\u00e7alves 9500, CP 15005, Porto Alegre 91500-970, RS, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Horacio","family":"P\u00e9rez-S\u00e1nchez","sequence":"additional","affiliation":[{"name":"Bioinformatics and High Performance Computing Research Group (BIO-HPC), Computer Engineering Department, Universidad Cat\u00f3lica de Murcia (UCAM), Murcia, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hugo","family":"Verli","sequence":"additional","affiliation":[{"name":"Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Avenida Bento Gon\u00e7alves 9500, CP 15005, Porto Alegre 91500-970, RS, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"301","published-online":{"date-parts":[[2017,12,11]]},"reference":[{"key":"CIT0001","volume-title":"Molecular modeling principles and applications","author":"Andrew R. L.","year":"2001"},{"key":"CIT0002","doi-asserted-by":"publisher","DOI":"10.1021\/bi9928243"},{"key":"CIT0003","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M105294200"},{"key":"CIT0004","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.181342398"},{"key":"CIT0005","doi-asserted-by":"publisher","DOI":"10.1378\/chest.124.6_suppl.364S"},{"key":"CIT0006","doi-asserted-by":"publisher","DOI":"10.1016\/j.carres.2005.03.018"},{"key":"CIT0007","doi-asserted-by":"publisher","DOI":"10.1021\/j100308a038"},{"key":"CIT0008","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gki385"},{"key":"CIT0009","doi-asserted-by":"publisher","DOI":"10.1016\/0014-5793(87)80266-1"},{"key":"CIT0010","doi-asserted-by":"publisher","DOI":"10.1063\/1.2408420"},{"key":"CIT0011","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20303"},{"key":"CIT0012","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"CIT0013","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M113.510727"},{"key":"CIT0014","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M001340200"},{"key":"CIT0015","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.272.31.19393"},{"key":"CIT0016","doi-asserted-by":"publisher","DOI":"10.1016\/j.carres.2009.12.018"},{"issue":"11","key":"CIT0017","doi-asserted-by":"crossref","first-page":"5090","DOI":"10.1016\/S0021-9258(19)70753-4","volume":"255","author":"Franz\u00e9n L. E.","year":"1980","journal-title":"The Journal of biological chemistry"},{"key":"CIT0018","doi-asserted-by":"publisher","DOI":"10.1161\/01.atv.16.10.1292"},{"key":"CIT0019","doi-asserted-by":"publisher","DOI":"10.1021\/bi0029346"},{"key":"CIT0020","volume":"277","author":"Gettins P. G. W.","year":"2002","journal-title":"Chemical Reviews"},{"key":"CIT0021","doi-asserted-by":"publisher","DOI":"10.1002\/elps.1150181505"},{"key":"CIT0022","doi-asserted-by":"publisher","DOI":"10.1016\/s0969-2126(99)80008-2"},{"key":"CIT0023","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H"},{"key":"CIT0024","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.31.1695"},{"key":"CIT0025","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"CIT0026","doi-asserted-by":"publisher","DOI":"10.1111\/j.1538-7836.2011.04360.x"},{"key":"CIT0027","doi-asserted-by":"publisher","DOI":"10.1038\/35038119"},{"key":"CIT0028","doi-asserted-by":"publisher","DOI":"10.1021\/ci049714+"},{"key":"CIT0029","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M114.611707"},{"key":"CIT0030","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M212319200"},{"key":"CIT0031","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.94.26.14683"},{"key":"CIT0032","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M607204200"},{"key":"CIT0033","doi-asserted-by":"publisher","DOI":"10.1021\/ci500020\u00a0m"},{"key":"CIT0034","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M408961200"},{"key":"CIT0035","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-2836(02)01382-7"},{"key":"CIT0036","doi-asserted-by":"publisher","DOI":"10.1351\/pac199668101919"},{"key":"CIT0037","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(02)01035-7"},{"key":"CIT0038","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(02)02012-2"},{"key":"CIT0039","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(19981115)19:14<1639::AID-JCC10>3.0.CO;2-B"},{"key":"CIT0040","doi-asserted-by":"publisher","DOI":"10.1021\/jm300621j"},{"key":"CIT0041","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.6b00823"},{"key":"CIT0042","doi-asserted-by":"publisher","DOI":"10.1080\/00268978400101201"},{"key":"CIT0043","doi-asserted-by":"publisher","DOI":"10.1080\/00268978300102851"},{"issue":"18","key":"CIT0044","doi-asserted-by":"crossref","first-page":"12528","DOI":"10.1016\/S0021-9258(18)42309-5","volume":"267","author":"Olson S. T.","year":"1992","journal-title":"The Journal of biological chemistry"},{"key":"CIT0045","doi-asserted-by":"publisher","DOI":"10.1160\/TH04-06-0384"},{"key":"CIT0046","doi-asserted-by":"publisher","DOI":"10.1016\/j.biochi.2010.05.011"},{"key":"CIT0047","doi-asserted-by":"publisher","DOI":"10.1063\/1.328693"},{"key":"CIT0048","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.6b00347"},{"issue":"1","key":"CIT0049","doi-asserted-by":"crossref","first-page":"610","DOI":"10.1016\/S0021-9258(18)89776-9","volume":"260","author":"Peterson C. B.","year":"1985","journal-title":"The Journal of biological chemistry"},{"key":"CIT0050","doi-asserted-by":"publisher","DOI":"10.1016\/j.carres.2008.12.025"},{"key":"CIT0051","doi-asserted-by":"publisher","DOI":"10.1002\/prot.23102"},{"key":"CIT0052","doi-asserted-by":"publisher","DOI":"10.1111\/j.1538-7836.2007.02516.x"},{"key":"CIT0053","doi-asserted-by":"publisher","DOI":"10.1023\/A:1008193805436"},{"key":"CIT0054","doi-asserted-by":"publisher","DOI":"10.1016\/S0006-291X(67)80055-X"},{"key":"CIT0055","doi-asserted-by":"publisher","DOI":"10.1021\/bi012163\u00a0l"},{"key":"CIT0056","doi-asserted-by":"publisher","DOI":"10.1016\/j.abb.2010.08.021"},{"key":"CIT0057","author":"Schr\u00f6dinger L. L. C.","year":"2015","journal-title":"The PyMOL molecular graphics system, version 1.8"},{"key":"CIT0058","doi-asserted-by":"publisher","DOI":"10.1107\/S0907444904011679"},{"key":"CIT0059","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2017.1288658"},{"key":"CIT0060","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1996.0798"},{"key":"CIT0061","doi-asserted-by":"publisher","DOI":"10.1016\/0014-5793(93)80429-X"},{"key":"CIT0062","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20291"},{"key":"CIT0063","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M313962200"},{"key":"CIT0064","doi-asserted-by":"publisher","DOI":"10.1016\/j.carres.2003.09.026"},{"key":"CIT0065","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2005.07.002"},{"key":"CIT0066","doi-asserted-by":"publisher","DOI":"10.1161\/01.atv.11.3.530"},{"key":"CIT0067","unstructured":"Zhang, X., Perez-sanchez, H. & Lightstone, F. C. (2011). Molecular dynamics simulations of ligand recognition upon binding antithrombin: A MM\/GBSA approach.Bioinformatics and Biomedical Engineering: Third International Conference, IWBBIO 2015, Proceedings, Part II.April 15-17, 2015, 584\u2013593. Granada, Spain: Springer International Publishing."}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2017.1407259","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2022,8,8]],"date-time":"2022-08-08T19:24:06Z","timestamp":1659986646000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2017.1407259"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017,12,11]]},"references-count":67,"journal-issue":{"issue":"15","published-print":{"date-parts":[[2018,11,18]]}},"alternative-id":["10.1080\/07391102.2017.1407259"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2017.1407259","relation":{},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"value":"0739-1102","type":"print"},{"value":"1538-0254","type":"electronic"}],"subject":[],"published":{"date-parts":[[2017,12,11]]},"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":"2017-03-09","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2017-11-10","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2017-12-11","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}