{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,6]],"date-time":"2026-10-06T03:41:21Z","timestamp":1791258081412,"version":"4.1.0"},"reference-count":82,"publisher":"American Chemical Society (ACS)","issue":"3","license":[{"start":{"date-parts":[[2021,2,18]],"date-time":"2021-02-18T00:00:00Z","timestamp":1613606400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2021,2,18]],"date-time":"2021-02-18T00:00:00Z","timestamp":1613606400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2021,2,18]],"date-time":"2021-02-18T00:00:00Z","timestamp":1613606400000},"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":["R01 GM65372"],"award-info":[{"award-number":["R01 GM65372"]}],"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":[[2021,3,22]]},"DOI":"10.1021\/acs.jcim.0c01002","type":"journal-article","created":{"date-parts":[[2021,2,18]],"date-time":"2021-02-18T15:07:54Z","timestamp":1613660874000},"page":"1287-1299","source":"Crossref","is-referenced-by-count":84,"title":["Identification of Cryptic Binding Sites Using MixMD with Standard and Accelerated Molecular Dynamics"],"prefix":"10.1021","volume":"61","author":[{"given":"Richard D.","family":"Smith","sequence":"first","affiliation":[{"name":"Department of Medicinal Chemistry, University of Michigan, 428 Church Street, Ann Arbor, Michigan 48109-1056, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7495-1699","authenticated-orcid":true,"given":"Heather A.","family":"Carlson","sequence":"additional","affiliation":[{"name":"Department of Medicinal Chemistry, University of Michigan, 428 Church Street, Ann Arbor, Michigan 48109-1056, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2021,2,18]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules200713384"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/jm048972v"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.4155\/fmc.14.155"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2016.01.029"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1007\/s10969-011-9110-6"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/jm5010418"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.6b00678"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.6b00399"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.6b00791"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-014-9728-0"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/ja1079332"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00487"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/ci100462t"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.6b00623"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201205676"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.6b03515"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1017\/s0033583512000066"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/ci300430v"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/ci400741u"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/ct500182z"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2019.01.018"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.9b00613"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkx277"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21127"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.6b00101"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2018.11.3144"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.24714"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.6b05425"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-10-168"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1000585"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1016\/j.cbpa.2018.05.003"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1711490115"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gks441"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b01295"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1063\/1.1755656"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.3390\/biology4020344"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/28.1.235"},{"key":"ref38\/cit38","unstructured":"MOE2016.08, 2016.08; Chemical Computing\nGroup Inc.: 1010 Sherbrooke St. West, Suite #910, Montreal, QC, Canada, H3A 2R7."},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1107\/s0907444909042073"},{"key":"ref40\/cit40","unstructured":"Case, D. A.; Ben-Shalom, I. Y.; Brozell, S. R.; Cerutti, D. S.; Cheatham, T. E.; Cruzeiro, V. W. D.; Darden, T. A.; Duke, R. E.; Ghoreishi, D.; Gilson, M. K.; Gohlke, H.; Goetz, A. W.; Greene, D.; Harris, R.; Homeyer, N.; Izadi, S.; Kovalenko, A.; Kurtzman, T.; Lee, T. S.; LeGrand, S.; Li, P.; Lin, C.; Liu, J.; Luchko, T.; Luo, R.; Mermelstein, D. J.; Merz, K. M.; Miao, Y.; Monard, G.; Nguyen, C.; Nguyen, H.; Omelyan, I.; Onufriev, A.; Pan, F.; Qi, R.; Roe, D. R.; Roitberg, A.; Sagui, C.; Schott-Verdugo, S.; Shen, J.; Simmerling, C. L.; Smith, J.; Salomon-Ferrer, R.; Swails, J.; Walker, R. C.; Wang, J.; Wei, H.; Wolf, R. M.; Wu, X.; Xiao, L.; York, D. M.; Kollman, P. A. AMBER 2018, 2018."},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.6b03515"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00255"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(77)90098-5"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/ct200909j"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1063\/1.439486"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1039\/c1cp22100k"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/ct400341p"},{"key":"ref49\/cit49","unstructured":"Schrodinger, L. The PyMol Molecular Graphics System, 1.7.4.1."},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.8b00265"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1996.0897"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1002\/prot.10465"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.0c04963"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.5b00523"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/ci200269q"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.8b00545"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1002\/pro.5560020315"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1996.0865"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/bi00182a017"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/bi00128a024"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0708036104"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1110\/ps.051905906"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/jm901168f"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2004.08.018"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.2000.4427"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1016\/0022-2836(92)90474-x"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2007.02.067"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1016\/s0969-2126(00)00516-5"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.2210\/pdb2wi5\/pdb"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1111\/j.1747-0285.2007.00535.x"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2003.12.068"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1016\/s0022-2836(02)00400-x"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1417811112"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1209309109"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1734128100"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1021\/jm801586s"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1038\/nsmb803"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2005.12.051"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1016\/s1097-2765(00)80171-9"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.2001.5371"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1099\/mic.0.2007\/010405-0"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.m611873200"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.0c01002","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,25]],"date-time":"2023-04-25T08:39:30Z","timestamp":1682411970000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.0c01002"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,2,18]]},"references-count":82,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2021,3,22]]}},"alternative-id":["10.1021\/acs.jcim.0c01002"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.0c01002","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,2,18]]}}}