{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,13]],"date-time":"2026-02-13T04:43:30Z","timestamp":1770957810466,"version":"3.50.1"},"reference-count":90,"publisher":"American Chemical Society (ACS)","issue":"13","license":[{"start":{"date-parts":[[2024,6,25]],"date-time":"2024-06-25T00:00:00Z","timestamp":1719273600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2024,6,25]],"date-time":"2024-06-25T00:00:00Z","timestamp":1719273600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2024,6,25]],"date-time":"2024-06-25T00:00:00Z","timestamp":1719273600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["21773038"],"award-info":[{"award-number":["21773038"]}],"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":["21877017"],"award-info":[{"award-number":["21877017"]}],"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":["22073018"],"award-info":[{"award-number":["22073018"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Fudan's Undergraduate Research Opportunities Program","award":["21522"],"award-info":[{"award-number":["21522"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2024,7,8]]},"DOI":"10.1021\/acs.jcim.3c01833","type":"journal-article","created":{"date-parts":[[2024,6,25]],"date-time":"2024-06-25T11:09:34Z","timestamp":1719313774000},"page":"5219-5231","source":"Crossref","is-referenced-by-count":5,"title":["Impact of Nonnative Interactions on the Binding Kinetics of Intrinsically Disordered p53 with MDM2: Insights from All-Atom Simulation and Markov State Model Analysis"],"prefix":"10.1021","volume":"64","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0778-7208","authenticated-orcid":true,"given":"Qianjun","family":"Xu","sequence":"first","affiliation":[{"name":"Department of Chemistry, Institute of Biomedical Sciences and Multiscale Research Institute of Complex Systems, Fudan University, Shanghai 200438, China"}]},{"given":"Maohua","family":"Yang","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Institute of Biomedical Sciences and Multiscale Research Institute of Complex Systems, Fudan University, Shanghai 200438, China"}]},{"given":"Jie","family":"Ji","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Institute of Biomedical Sciences and Multiscale Research Institute of Complex Systems, Fudan University, Shanghai 200438, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4639-7600","authenticated-orcid":true,"given":"Jingwei","family":"Weng","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Institute of Biomedical Sciences and Multiscale Research Institute of Complex Systems, Fudan University, Shanghai 200438, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8712-0536","authenticated-orcid":true,"given":"Wenning","family":"Wang","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Institute of Biomedical Sciences and Multiscale Research Institute of Complex Systems, Fudan University, Shanghai 200438, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5247-2937","authenticated-orcid":true,"given":"Xin","family":"Xu","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Institute of Biomedical Sciences and Multiscale Research Institute of Complex Systems, Fudan University, Shanghai 200438, China"}]}],"member":"316","published-online":{"date-parts":[[2024,6,25]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2008.10.002"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.3390\/biom9030081"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2018.09.007"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2020.12.001"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0217889"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1039\/D0CP05818A"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.jtbi.2019.02.014"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.93.21.11504"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/S0968-0004(03)00003-3"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1002\/jmr.747"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.160259697"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2009.09.010"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0914727107"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1039\/c2cp41196b"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1111\/febs.14197"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.2c00528"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1913207117"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1007815"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/ja065531n"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1003363"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1615949114"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1039\/C8CP06803H"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.0c03217"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00920"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/ja110338e"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1001118"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1002682"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2020.11.005"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1038\/sj.cdd.4401183"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.2147\/OTT.S53876"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1038\/351453a0"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1016\/S0014-5793(97)01480-4"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1186\/s12935-019-0937-4"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1038\/nrc991"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1038\/nature05858"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.9b03372"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2017.07.009"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2019.1637784"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.8b10309"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-017-01163-6"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-017-15930-4"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-020-69322-2"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1126\/science.274.5289.948"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M508578200"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-2836(02)00852-5"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.8b03876"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/ja0678774"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b01203"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.6b01502"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1063\/1.1738647"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1063\/1.3565032"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1016\/j.ymeth.2010.06.002"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0905466106"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1063\/1.3216567"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.8b00957"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/ja403147m"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1039\/D1SC06825C"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.0c09343"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2010.03.005"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1003363"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1005468"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.9b00200"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0015375"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.REV120.012413"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1110\/ps.03580104"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1002\/prot.1154"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1140\/epjb\/e2002-00393-4"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1142\/S012918310200408X"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1021\/jp508971m"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1039\/D1SC03496K"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1002\/pro.4772"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1038\/nmeth.4067"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20945"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1016\/j.softx.2015.06.001"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.6b01316"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1063\/1.2408420"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1063\/1.328693"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1080\/00268978300102851"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1311599110"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1107\/S0567739476001873"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1021\/ct200463m"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1021\/jp037421y"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00743"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201701883"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1007\/s10858-011-9478-4"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1110\/ps.062465306"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1007\/BF00227471"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1007\/s12104-023-10160-4"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c01833","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c01833","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,7,8]],"date-time":"2024-07-08T08:11:31Z","timestamp":1720426291000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.3c01833"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,6,25]]},"references-count":90,"journal-issue":{"issue":"13","published-print":{"date-parts":[[2024,7,8]]}},"alternative-id":["10.1021\/acs.jcim.3c01833"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.3c01833","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,6,25]]}}}