{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,25]],"date-time":"2026-02-25T16:38:52Z","timestamp":1772037532151,"version":"3.50.1"},"reference-count":91,"publisher":"American Chemical Society (ACS)","issue":"7","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2017,7,24]]},"DOI":"10.1021\/acs.jcim.7b00125","type":"journal-article","created":{"date-parts":[[2017,6,15]],"date-time":"2017-06-15T20:55:21Z","timestamp":1497560121000},"page":"1563-1578","source":"Crossref","is-referenced-by-count":22,"title":["Modeling Binding with Large Conformational Changes: Key Points in Ensemble-Docking Approaches"],"prefix":"10.1021","volume":"57","author":[{"given":"Stefano","family":"Motta","sequence":"first","affiliation":[{"name":"Department of Earth and Environmental\rSciences, University of Milano-Bicocca, Piazza della Scienza 1, 20126 Milan, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3028-0368","authenticated-orcid":true,"given":"Laura","family":"Bonati","sequence":"additional","affiliation":[{"name":"Department of Earth and Environmental\rSciences, University of Milano-Bicocca, Piazza della Scienza 1, 20126 Milan, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2017,6,30]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1038\/nature06522"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.5b00562"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1039\/c4cp90027h"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/ct400486p"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/jm800562d"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.2174\/092986710789957797"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/bi2004558"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1017\/S0033583512000066"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpc.2013.10.007"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.201500086"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.44.2.98"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1093\/protein\/12.9.713"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1110\/ps.8.6.1181"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1038\/nchembio.232"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2012.08.008"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0802524105"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0906966106"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1016\/j.tibs.2010.04.009"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.3410\/B3-19"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/ci400040d"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/jm050540c"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/ci100218t"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.5b00744"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2008.11.010"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2008.01.004"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/ci4004927"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/ci3001088"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/ja0260162"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1002\/bip.10218"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.2174\/156802610790232279"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0408930102"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200502655"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1004619"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1111\/cbdd.12051"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.5b01684"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1063\/1.1755656"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1063\/1.2789432"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-007-9159-2"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/ct700119m"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.2174\/1568026611313050007"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1038\/nrn731"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0803799105"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1208\/ps010202"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1038\/sj.emboj.7600828"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1038\/nsmb951"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2007.03.067"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1999.2571"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M200514200"},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"320","DOI":"10.1128\/mr.57.2.320-346.1993","volume":"57","author":"Tam R.","year":"1993","journal-title":"Microbiol. Rev."},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/ct500090q"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1039\/c3cp53962h"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1016\/j.compbiolchem.2008.12.002"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1110\/ps.21302"},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"1131","DOI":"10.1016\/S0021-9258(19)68161-5","volume":"257","author":"Mao B.","year":"1982","journal-title":"J. Biol. Chem."},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1038\/nature06232"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1002034"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/bi201481a"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1063\/1.3301140"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/ci700376c"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/jm050362n"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/ci0503255"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1021\/jm051256o"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/28.1.235"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-013-9644-8"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1002\/prot.22102"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20290"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1121"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00255"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2005.12.005"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20035"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(20000130)21:2<132::AID-JCC5>3.0.CO;2-P"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.10128"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1002\/bip.360320508"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1063\/1.448118"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(77)90098-5"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1021\/ct300284c"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbagen.2014.08.003"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1521-3773(19990115)38:1\/2<236::AID-ANIE236>3.3.CO;2-D"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2010.10.007"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1021\/ct500381c"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.5b00684"},{"key":"ref84\/cit84","unstructured":"Schr\u00f6dinger, L.Schr\u00f6dinger Release 2014-1: Maestro, Version 9.7. New York, 2014."},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1021\/jm0306430"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1021\/jm030644s"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21601"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btl461"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1186\/s12859-014-0399-6"},{"key":"ref91\/cit91","unstructured":"L.L.C. Schrodinger. The PyMOL Molecular Graphics System, 2010."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.7b00125","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,22]],"date-time":"2023-04-22T15:29:57Z","timestamp":1682177397000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.7b00125"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017,6,30]]},"references-count":91,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2017,7,24]]}},"alternative-id":["10.1021\/acs.jcim.7b00125"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.7b00125","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2017,6,30]]}}}