{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,16]],"date-time":"2026-03-16T22:40:59Z","timestamp":1773700859735,"version":"3.50.1"},"reference-count":86,"publisher":"American Chemical Society (ACS)","issue":"24","license":[{"start":{"date-parts":[[2022,8,19]],"date-time":"2022-08-19T00:00:00Z","timestamp":1660867200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2022,8,19]],"date-time":"2022-08-19T00:00:00Z","timestamp":1660867200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2022,8,19]],"date-time":"2022-08-19T00:00:00Z","timestamp":1660867200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100006606","name":"Natural Science Foundation of Tianjin City","doi-asserted-by":"publisher","award":["20JCYBJC01480"],"award-info":[{"award-number":["20JCYBJC01480"]}],"id":[{"id":"10.13039\/501100006606","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22073050"],"award-info":[{"award-number":["22073050"]}],"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":["22174075"],"award-info":[{"award-number":["22174075"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Haihe Laboratory of Sustainable Chemical Transformations","award":["ZYTS202105"],"award-info":[{"award-number":["ZYTS202105"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2022,12,26]]},"DOI":"10.1021\/acs.jcim.2c00444","type":"journal-article","created":{"date-parts":[[2022,8,19]],"date-time":"2022-08-19T16:07:24Z","timestamp":1660925244000},"page":"6482-6493","source":"Crossref","is-referenced-by-count":12,"title":["Binding Models of A\u03b242 Peptide with Membranes Explored by Molecular Simulations"],"prefix":"10.1021","volume":"62","author":[{"given":"Ke","family":"Wang","sequence":"first","affiliation":[{"name":"Research Center for Analytical Sciences, College of Chemistry, Tianjin Key Laboratory of Biosensing and Molecular Recognition, State Key Laboratory of Medicinal Chemical Biology, Nankai University, Tianjin 300071, China"},{"name":"Haihe Laboratory of Sustainable Chemical Transformations, Tianjin 300192, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5027-4382","authenticated-orcid":true,"given":"Xueguang","family":"Shao","sequence":"additional","affiliation":[{"name":"Research Center for Analytical Sciences, College of Chemistry, Tianjin Key Laboratory of Biosensing and Molecular Recognition, State Key Laboratory of Medicinal Chemical Biology, Nankai University, Tianjin 300071, China"},{"name":"Haihe Laboratory of Sustainable Chemical Transformations, Tianjin 300192, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6457-7058","authenticated-orcid":true,"given":"Wensheng","family":"Cai","sequence":"additional","affiliation":[{"name":"Research Center for Analytical Sciences, College of Chemistry, Tianjin Key Laboratory of Biosensing and Molecular Recognition, State Key Laboratory of Medicinal Chemical Biology, Nankai University, Tianjin 300071, China"},{"name":"Haihe Laboratory of Sustainable Chemical Transformations, Tianjin 300192, China"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2022,8,19]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/S0140-6736(15)01124-1"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jalz.2015.02.003"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1186\/s13195-016-0207-9"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/nrneurol.2012.236"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1126\/science.1072994"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/j.jns.2016.01.008"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.npep.2015.06.008"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1126\/science.aay0198"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1093\/brain\/awv355"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1038\/nm1782"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.3233\/JAD-2010-1221"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1007\/s12603-009-0059-0"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M803159200"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbamem.2018.03.026"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00803"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/cn500007j"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbapap.2019.03.006"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbamem.2017.05.012"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2003.11.046"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/ja076059o"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/S0165-022X(03)00103-9"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.3390\/ijms21031129"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1002\/prot.21887"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2008.11.060"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbamem.2007.03.014"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1111\/j.1742-4658.2011.08228.x"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/jp2108126"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1096\/fj.01-0377com"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-020-16566-1"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1007\/s10719-008-9216-7"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/ja103725c"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbamem.2012.09.001"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0078399"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/cr500638n"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2106210118"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.0c01122"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2013.06.046"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.8b00045"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00096"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2021.201648"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.3390\/molecules27041395"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbamem.2015.12.032"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.6b00660"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1039\/C7CP01003F"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00763"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/acschemneuro.0c00541"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/acschemneuro.1c00407"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpc.2021.106700"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/acschemneuro.9b00558"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1016\/j.abb.2016.11.006"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1039\/C6CP02023B"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP00859D"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00431"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP00040B"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1002\/pro.678"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/acschemneuro.0c00688"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1038\/nrm2330"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2017.10.017"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1002\/cbic.200500223"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gki464"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gks375"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00935"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2009.04.013"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20291"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1038\/nmeth.4067"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1063\/1.328693"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1080\/00268978300102851"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1021\/ct700200b"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1063\/1.470117"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20290"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1021\/ct5010406"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(77)90098-5"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1002\/bip.360221211"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1521-3773(19990115)38:1\/2<236::AID-ANIE236>3.0.CO;2-M"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1021\/ct400341p"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1021\/jp412153s"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbamem.2014.07.010"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2015.03.001"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbamem.2016.03.001"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.7b00626"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.6b00163"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2017.10.006"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1021\/ar4002075"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.0c03796"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c00444","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c00444","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,26]],"date-time":"2023-04-26T02:18:08Z","timestamp":1682475488000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.2c00444"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,8,19]]},"references-count":86,"journal-issue":{"issue":"24","published-print":{"date-parts":[[2022,12,26]]}},"alternative-id":["10.1021\/acs.jcim.2c00444"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.2c00444","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,8,19]]}}}