{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,6]],"date-time":"2026-03-06T00:07:40Z","timestamp":1772755660551,"version":"3.50.1"},"reference-count":53,"publisher":"American Chemical Society (ACS)","issue":"21","license":[{"start":{"date-parts":[[2021,9,10]],"date-time":"2021-09-10T00:00:00Z","timestamp":1631232000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2021,9,10]],"date-time":"2021-09-10T00:00:00Z","timestamp":1631232000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2021,9,10]],"date-time":"2021-09-10T00:00:00Z","timestamp":1631232000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100002855","name":"Ministry of Science and Technology of the People's Republic of China","doi-asserted-by":"publisher","award":["2016YFA0501701"],"award-info":[{"award-number":["2016YFA0501701"]}],"id":[{"id":"10.13039\/501100002855","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["21575128"],"award-info":[{"award-number":["21575128"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["21773298"],"award-info":[{"award-number":["21773298"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["81773632"],"award-info":[{"award-number":["81773632"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004731","name":"Natural Science Foundation of Zhejiang Province","doi-asserted-by":"publisher","award":["LZ19H300001"],"award-info":[{"award-number":["LZ19H300001"]}],"id":[{"id":"10.13039\/501100004731","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2022,11,14]]},"DOI":"10.1021\/acs.jcim.1c00150","type":"journal-article","created":{"date-parts":[[2021,9,10]],"date-time":"2021-09-10T17:41:32Z","timestamp":1631295692000},"page":"5233-5245","source":"Crossref","is-referenced-by-count":12,"title":["Molecular View on the Dissociation Pathways and Transactivation Regulation Mechanism of Nonsteroidal GR Ligands"],"prefix":"10.1021","volume":"62","author":[{"given":"Haiyi","family":"Chen","sequence":"first","affiliation":[{"name":"Innovation Institute for Artificial Intelligence in Medicine, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, 310058 Zhejiang, China"},{"name":"National Centre for Magnetic Resonance in Wuhan, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan, 430071 Hubei, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Rui","family":"Zhou","sequence":"additional","affiliation":[{"name":"National Centre for Magnetic Resonance in Wuhan, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan, 430071 Hubei, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jinping","family":"Pang","sequence":"additional","affiliation":[{"name":"Innovation Institute for Artificial Intelligence in Medicine, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, 310058 Zhejiang, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yue","family":"Guo","sequence":"additional","affiliation":[{"name":"National Centre for Magnetic Resonance in Wuhan, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan, 430071 Hubei, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jiawen","family":"Chen","sequence":"additional","affiliation":[{"name":"National Centre for Magnetic Resonance in Wuhan, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan, 430071 Hubei, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yu","family":"Kang","sequence":"additional","affiliation":[{"name":"Innovation Institute for Artificial Intelligence in Medicine, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, 310058 Zhejiang, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5496-832X","authenticated-orcid":true,"given":"Mojie","family":"Duan","sequence":"additional","affiliation":[{"name":"National Centre for Magnetic Resonance in Wuhan, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan, 430071 Hubei, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7227-2580","authenticated-orcid":true,"given":"Tingjun","family":"Hou","sequence":"additional","affiliation":[{"name":"Innovation Institute for Artificial Intelligence in Medicine, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, 310058 Zhejiang, China"},{"name":"State Key Lab of CAD&CG, Zhejiang University, Hangzhou, 310058 Zhejiang, China"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2021,9,10]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1093\/rheumatology\/ker215"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1210\/edrv.21.1.0389"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1111\/j.1476-5381.2010.01199.x"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/nri2748"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1210\/er.2005-0002"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.3389\/fimmu.2019.01859"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1816734116"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1677\/joe.0.1780005"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1136\/ard.2008.100008"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1182\/blood-2008-03-145169"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1016\/j.tem.2012.11.005"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2004.07.052"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1016\/j.mce.2007.05.014"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbi.2010.06.010"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/0092-8674(86)90339-9"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/S0092-8674(02)00817-6"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1038\/nrd2082"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1016\/j.cbpa.2010.06.176"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1016\/j.sjbs.2017.01.016"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/jm400802b"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/j.str.2015.09.012"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2017.02.004"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2014.03.070"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1016\/j.pharmthera.2015.05.001"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.7b01690"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.2000.4154"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00230"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1303186110"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/ja511336z"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1038\/cr.2014.52"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/jm800279t"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1128\/MCB.01541-07"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.7b01215"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2016.10.052"},{"key":"ref35\/cit35","unstructured":"Schr\u00f6dinger, version 2017; Schr\u00f6dinger, LLC: New York,\nNY, 2017. https:\/\/www.schrodinger.com (accessed 2021-06-28)."},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1121"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1002\/prot.21123"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20035"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20289"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.111.230602"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1016\/j.softx.2015.06.001"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-319-15976-8_1"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2013.09.018"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1311599110"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1038\/s42004-020-00370-5"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/jp045424k"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1612627114"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00319"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c00075"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(77)90098-5"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00360"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.3389\/fimmu.2019.01693"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.1c00150","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.1c00150","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,25]],"date-time":"2023-04-25T19:11:05Z","timestamp":1682449865000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.1c00150"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,9,10]]},"references-count":53,"journal-issue":{"issue":"21","published-print":{"date-parts":[[2022,11,14]]}},"alternative-id":["10.1021\/acs.jcim.1c00150"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.1c00150","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,9,10]]}}}