{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,25]],"date-time":"2026-03-25T08:05:04Z","timestamp":1774425904175,"version":"3.50.1"},"reference-count":85,"publisher":"American Chemical Society (ACS)","issue":"8","license":[{"start":{"date-parts":[[2023,4,14]],"date-time":"2023-04-14T00:00:00Z","timestamp":1681430400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2023,4,14]],"date-time":"2023-04-14T00:00:00Z","timestamp":1681430400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2023,4,14]],"date-time":"2023-04-14T00:00:00Z","timestamp":1681430400000},"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":["2020YFA0907700"],"award-info":[{"award-number":["2020YFA0907700"]}],"id":[{"id":"10.13039\/501100002855","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100018594","name":"Central University Basic Research Fund of China","doi-asserted-by":"publisher","award":["YG2023LC03"],"award-info":[{"award-number":["YG2023LC03"]}],"id":[{"id":"10.13039\/501100018594","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["21977068"],"award-info":[{"award-number":["21977068"]}],"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":["32171242"],"award-info":[{"award-number":["32171242"]}],"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":["81925034"],"award-info":[{"award-number":["81925034"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2023,4,24]]},"DOI":"10.1021\/acs.jcim.2c01369","type":"journal-article","created":{"date-parts":[[2023,4,14]],"date-time":"2023-04-14T11:39:37Z","timestamp":1681472377000},"page":"2456-2468","source":"Crossref","is-referenced-by-count":9,"title":["Research and Evaluation of the Allosteric Protein-Specific Force Field Based on a Pre-Training Deep Learning Model"],"prefix":"10.1021","volume":"63","author":[{"given":"Xiaoyue","family":"Ji","sequence":"first","affiliation":[{"name":"State Key Laboratory of Microbial Metabolism, Joint International Research Laboratory of Metabolic & Developmental Sciences, Department of Bioinformatics and Biostatistics, National Experimental Teaching Center for Life Sciences and Biotechnology, School of Life Sciences and Biotechnology, Shanghai Center for Systems Biomedicine, Shanghai Jiao Tong University, Shanghai 200240, China"}]},{"given":"Xiaochen","family":"Cui","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Microbial Metabolism, Joint International Research Laboratory of Metabolic & Developmental Sciences, Department of Bioinformatics and Biostatistics, National Experimental Teaching Center for Life Sciences and Biotechnology, School of Life Sciences and Biotechnology, Shanghai Center for Systems Biomedicine, Shanghai Jiao Tong University, Shanghai 200240, China"}]},{"given":"Zhengxin","family":"Li","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Microbial Metabolism, Joint International Research Laboratory of Metabolic & Developmental Sciences, Department of Bioinformatics and Biostatistics, National Experimental Teaching Center for Life Sciences and Biotechnology, School of Life Sciences and Biotechnology, Shanghai Center for Systems Biomedicine, Shanghai Jiao Tong University, Shanghai 200240, China"}]},{"given":"Taeyoung","family":"Choi","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Microbial Metabolism, Joint International Research Laboratory of Metabolic & Developmental Sciences, Department of Bioinformatics and Biostatistics, National Experimental Teaching Center for Life Sciences and Biotechnology, School of Life Sciences and Biotechnology, Shanghai Center for Systems Biomedicine, Shanghai Jiao Tong University, Shanghai 200240, China"}]},{"given":"Ying","family":"Wang","sequence":"additional","affiliation":[{"name":"Nutshell BioTech (Shanghai) Co. Ltd, Shanghai 201203, China"}]},{"given":"Wen","family":"Xiao","sequence":"additional","affiliation":[{"name":"Nutshell BioTech (Shanghai) Co. Ltd, Shanghai 201203, China"}]},{"given":"Yunshuo","family":"Zhao","sequence":"additional","affiliation":[{"name":"Nutshell BioTech (Shanghai) Co. Ltd, Shanghai 201203, China"}]},{"given":"Jinyin","family":"Zha","sequence":"additional","affiliation":[{"name":"Medicinal Chemistry and Bioinformatics Center, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6558-791X","authenticated-orcid":true,"given":"Jian","family":"Zhang","sequence":"additional","affiliation":[{"name":"Medicinal Chemistry and Bioinformatics Center, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7496-4182","authenticated-orcid":true,"given":"Hai-Feng","family":"Chen","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Microbial Metabolism, Joint International Research Laboratory of Metabolic & Developmental Sciences, Department of Bioinformatics and Biostatistics, National Experimental Teaching Center for Life Sciences and Biotechnology, School of Life Sciences and Biotechnology, Shanghai Center for Systems Biomedicine, Shanghai Jiao Tong University, Shanghai 200240, China"}]},{"given":"Zhengtian","family":"Yu","sequence":"additional","affiliation":[{"name":"Nutshell BioTech (Shanghai) Co. Ltd, Shanghai 201203, China"}]}],"member":"316","published-online":{"date-parts":[[2023,4,14]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.6b00283"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.5b00543"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.1c01695"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2022.102334"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1038\/s41589-022-00997-6"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1002\/med.21317"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/ja510028c"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1016\/j.cell.2013.03.034"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2019.10.006"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1016\/j.tips.2020.02.001"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.7b01844"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1016\/j.tips.2015.04.005"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1080\/17460441.2022.2085684"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1038\/bcj.2016.7"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1038\/nchembio.98"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.tibs.2015.09.002"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.str.2011.06.002"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.5b00590"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.5b00623"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/ct300395h"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1038\/267585a0"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1186\/1741-7007-9-71"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.1c00798"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.0c05502"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1038\/srep23830"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1016\/bs.mie.2016.05.027"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-4939-6637-0_23"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c01175"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1111\/cbdd.13342"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP03434J"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00762"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00059"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00135"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1111\/cbdd.12832"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1111\/cbdd.12314"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00647"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.5b00043"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00623"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijbiomac.2022.09.183"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.3c00112"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-020-19689-7"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkz958"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkv902"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkt1247"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkq1022"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1162\/neco.1997.9.8.1735"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1109\/78.650093"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/25.17.3389"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkz297"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.25534"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c01501"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1186\/s40537-016-0043-6"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1038\/nmeth.4067"},{"key":"ref54\/cit54","volume-title":"AMBER 2018","author":"Case D. A.","year":"2018"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00119"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1016\/j.chembiol.2012.07.017"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2003.12.068"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/cb100410m"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201711825"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1038\/nature17960"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1158\/2159-8290.CD-18-0903"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbrc.2018.05.154"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.8b03308"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/acs.biochem.8b01300"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-019-1694-1"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.1c02148"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201511351"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1038\/364164a0"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1063\/1.1683075"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(77)90098-5"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1063\/1.3149788"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1063\/1.4978807"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1186\/s12918-017-0420-6"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/ct500381c"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.0c02076"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M109.051151"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1007\/s10260-016-0353-z"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1038\/msb.2010.65"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.8b01749"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-022-29939-5"},{"key":"ref82\/cit82","author":"Ganea O.-E.","year":"2021","journal-title":"arXiv"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-10-168"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1002\/minf.201500108"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btt399"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c01369","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c01369","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,24]],"date-time":"2023-04-24T08:38:15Z","timestamp":1682325495000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.2c01369"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,4,14]]},"references-count":85,"journal-issue":{"issue":"8","published-print":{"date-parts":[[2023,4,24]]}},"alternative-id":["10.1021\/acs.jcim.2c01369"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.2c01369","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,4,14]]}}}