{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,10]],"date-time":"2026-01-10T03:32:24Z","timestamp":1768015944487,"version":"3.49.0"},"reference-count":92,"publisher":"American Chemical Society (ACS)","issue":"16","license":[{"start":{"date-parts":[[2024,8,9]],"date-time":"2024-08-09T00:00:00Z","timestamp":1723161600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2024,8,9]],"date-time":"2024-08-09T00:00:00Z","timestamp":1723161600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2024,8,9]],"date-time":"2024-08-09T00:00:00Z","timestamp":1723161600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100002857","name":"China Pharmaceutical University","doi-asserted-by":"publisher","award":["1131810011"],"award-info":[{"award-number":["1131810011"]}],"id":[{"id":"10.13039\/501100002857","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002857","name":"China Pharmaceutical University","doi-asserted-by":"publisher","award":["1132010013"],"award-info":[{"award-number":["1132010013"]}],"id":[{"id":"10.13039\/501100002857","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22220102001"],"award-info":[{"award-number":["22220102001"]}],"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":["22303082"],"award-info":[{"award-number":["22303082"]}],"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":["81603031"],"award-info":[{"award-number":["81603031"]}],"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":[[2024,8,26]]},"DOI":"10.1021\/acs.jcim.4c01153","type":"journal-article","created":{"date-parts":[[2024,8,9]],"date-time":"2024-08-09T06:09:52Z","timestamp":1723183792000},"page":"6432-6449","source":"Crossref","is-referenced-by-count":1,"title":["RLpMIEC: High-Affinity Peptide Generation Targeting Major Histocompatibility Complex-I Guided and Interpreted by Interaction Spectrum-Navigated Reinforcement Learning"],"prefix":"10.1021","volume":"64","author":[{"given":"Qirui","family":"Deng","sequence":"first","affiliation":[{"name":"Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009 Jiangsu, P. R. China"}]},{"given":"Zhe","family":"Wang","sequence":"additional","affiliation":[{"name":"Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058 Zhejiang, P. R. China"},{"name":"School of Pharmacy, Hangzhou Normal University, Hangzhou 311121, P. R. China"}]},{"given":"Sutong","family":"Xiang","sequence":"additional","affiliation":[{"name":"Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009 Jiangsu, P. R. China"}]},{"given":"Qinghua","family":"Wang","sequence":"additional","affiliation":[{"name":"Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009 Jiangsu, P. R. China"}]},{"given":"Yifei","family":"Liu","sequence":"additional","affiliation":[{"name":"Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058 Zhejiang, P. R. China"}]},{"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 of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058 Zhejiang, P. R. China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7107-7481","authenticated-orcid":true,"given":"Huiyong","family":"Sun","sequence":"additional","affiliation":[{"name":"Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009 Jiangsu, P. R. China"}]}],"member":"316","published-online":{"date-parts":[[2024,8,9]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/j.it.2016.08.010"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.4049\/jimmunol.1402455"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1038\/nri3084"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1158\/2326-6066.cir-18-0283"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1038\/nature22991"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1038\/nchembio.1391"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.molimm.2018.03.029"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1126\/science.aaa1348"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1038\/nature10755"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1056\/nejmoa1406498"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-023-06331-x"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1038\/329512a0"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1016\/s1074-7613(00)80430-6"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1038\/351290a0"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gku1161"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.coi.2005.07.015"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-021-03819-2"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.2303.08774"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.3389\/fimmu.2019.02559"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1038\/s42256-023-00694-6"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1007\/s00251-020-01163-9"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbac378"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1038\/s42256-023-00634-4"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1038\/s42256-021-00383-2"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btac820"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1038\/351402a0"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2013.03.018"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.3389\/fimmu.2019.02572"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbz051"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkaa379"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btad632"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1038\/s42256-022-00459-7"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1016\/j.cels.2022.12.002"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.1c00870"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1016\/j.cels.2020.09.001"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbab595"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1038\/s42256-023-00619-3"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1016\/j.cels.2020.11.005"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.abo5128"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gky1006"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2214430120"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btad055"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbab160"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2007.12.054"},{"key":"ref45\/cit45","first-page":"5998","volume-title":"Adv. Neural Inf. Proc. Syst.","volume":"30","author":"Vaswani A.","year":"2017"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c00851"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1016\/j.xcrp.2023.101466"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1038\/srep24817"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/pr3000688"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/ci400011c"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1038\/s41401-024-01284-x"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.3389\/fphar.2020.565644"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btv123"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1158\/2326-6066.cir-18-0584"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-6-132"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkn202"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btv639"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1007\/s00251-005-0798-y"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-10-394"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1038\/nbt1215"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1007\/s00251-011-0579-8"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btp137"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1016\/j.cels.2018.05.014"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1007\/s00251-008-0341-z"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1186\/s13073-016-0288-x"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.4049\/jimmunol.1700893"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-15-241"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/28.1.235"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1038\/42523"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1002\/eji.201041370"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1038\/s41589-020-0610-1"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.ra119.010251"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-019-08790-1"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1038\/ni.3850"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1016\/j.immuni.2021.04.006"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-021-95786-x"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1016\/j.cll.2018.08.002"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-018-07815-5"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.ra119.008937"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.3390\/biophysica1020015"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.3390\/ijms18071464"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-018-07109-w"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1016\/j.xcrp.2024.101980"},{"key":"ref84\/cit84","unstructured":"Schr\u00f6dinger, L. L. C.  The Pymol Molecular Graphics System. Version 1.8 2017."},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2005.12.005"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1016\/0010-4655(95)00041-d"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00591"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"ref90\/cit90","unstructured":"Alec, R.; Karthik, N.; Tim, S.; Ilya, S., Improving Language Understanding by Generative Pre-Training. https:\/\/openai.com\/research\/language-unsupervised 2018 (accessed date: June 11, 2018)."},{"key":"ref91\/cit91","first-page":"1877","volume":"33","author":"Brown T. B.","year":"2020","journal-title":"Adv. Neural Inf. Process Syst."},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00915"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c01153","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c01153","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,8,26]],"date-time":"2024-08-26T08:10:59Z","timestamp":1724659859000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.4c01153"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,8,9]]},"references-count":92,"journal-issue":{"issue":"16","published-print":{"date-parts":[[2024,8,26]]}},"alternative-id":["10.1021\/acs.jcim.4c01153"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.4c01153","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,8,9]]}}}