{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,6]],"date-time":"2026-05-06T02:25:16Z","timestamp":1778034316091,"version":"3.51.4"},"reference-count":70,"publisher":"American Chemical Society (ACS)","issue":"11","license":[{"start":{"date-parts":[[2021,10,27]],"date-time":"2021-10-27T00:00:00Z","timestamp":1635292800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2021,10,27]],"date-time":"2021-10-27T00:00:00Z","timestamp":1635292800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2021,10,27]],"date-time":"2021-10-27T00:00:00Z","timestamp":1635292800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["GM037554"],"award-info":[{"award-number":["GM037554"]}],"id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["GM107233"],"award-info":[{"award-number":["GM107233"]}],"id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["GM130587"],"award-info":[{"award-number":["GM130587"]}],"id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2021,11,22]]},"DOI":"10.1021\/acs.jcim.1c01078","type":"journal-article","created":{"date-parts":[[2021,10,27]],"date-time":"2021-10-27T12:33:21Z","timestamp":1635338001000},"page":"5535-5549","source":"Crossref","is-referenced-by-count":31,"title":["Flexible CDOCKER: Hybrid Searching Algorithm and Scoring Function with Side Chain Conformational Entropy"],"prefix":"10.1021","volume":"61","author":[{"given":"Yujin","family":"Wu","sequence":"first","affiliation":[{"name":"Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8149-5417","authenticated-orcid":true,"suffix":"III","given":"Charles L.","family":"Brooks","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States"},{"name":"Biophysics Program, University of Michigan, Ann Arbor, Michigan 48109, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2021,10,27]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.2174\/157340912799218507"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1038\/nrd1549"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1002\/jmr.1077"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1023\/a:1020155510718"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.8b00545"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/ci500080q"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/ci500081m"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/jm000467k"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1110\/ps.041153605"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/jp4105823"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1038\/nrd1129"},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"181","DOI":"10.1039\/9781847557964-00181","volume-title":"Computational and Structural Approaches to Drug DiscoVery: Ligand-Protein Interactions","author":"Kuhn L. A.","year":"2007"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/jm0306430"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.1c00136"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0018934"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.24259"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c00145"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1004586"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/j100056a024"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1621154114"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.8b11099"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-017-02258-w"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/ci034246+"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btq112"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/jm0493360"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/ci100369f"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1023\/a:1016357811882"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.10306"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21334"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1002\/(sici)1096-987x(19981115)19:14<1639::aid-jcc10>3.0.co;2-b"},{"key":"ref31\/cit31","unstructured":"Chemical Computing\nGroup Inc Molecular Operating Environment\n(MOE); 2016."},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-3-33"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/ci300363c"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/ci3003649"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2003.12.005"},{"key":"ref36\/cit36","first-page":"82","volume":"40","author":"DeLano W. L.","year":"2002","journal-title":"CCP4 Newsletter Pro. Crystallogr."},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21367"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21287"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/jm0491187"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1016\/s1074-5521(02)00106-0"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/jm030650o"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1002\/bip.10541"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/jm0508437"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2008.02.025"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1023\/b:jcam.0000035199.48747.1e"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemolab.2005.05.014"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/ci700134p"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/ci8000327"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1261\/rna.1563609"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1016\/j.chembiol.2010.12.020"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1002\/1097-0134(20000815)40:3<443::aid-prot100>3.0.co;2-l"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/bi00820a001"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1016\/j.bcp.2005.12.026"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1002\/jmr.1000"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1007\/bf00175354"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1023\/a:1009626110229"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/ci800298z"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1002\/(sici)1096-987x(19981115)19:14<1612::aid-jcc7>3.0.co;2-m"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/jm300687e"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20832"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/jm0608356"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2008.01.049"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2009.09.049"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.6b06566"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200903390"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1002\/1097-0134(20010201)42:2<279::aid-prot150>3.0.co;2-u"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1021\/bi00027a006"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2007.06.002"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1500806112"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1101\/2021.03.22.436465"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.1c01078","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,27]],"date-time":"2023-04-27T17:48:42Z","timestamp":1682617722000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.1c01078"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,10,27]]},"references-count":70,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2021,11,22]]}},"alternative-id":["10.1021\/acs.jcim.1c01078"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.1c01078","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,10,27]]}}}