{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,14]],"date-time":"2025-10-14T00:22:55Z","timestamp":1760401375457,"version":"build-2065373602"},"reference-count":59,"publisher":"American Chemical Society (ACS)","issue":"19","license":[{"start":{"date-parts":[[2025,9,29]],"date-time":"2025-09-29T00:00:00Z","timestamp":1759104000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,9,29]],"date-time":"2025-09-29T00:00:00Z","timestamp":1759104000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,9,29]],"date-time":"2025-09-29T00:00:00Z","timestamp":1759104000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100012166","name":"National Key Research and Development Program of China","doi-asserted-by":"publisher","award":["2023YFF1204001"],"award-info":[{"award-number":["2023YFF1204001"]}],"id":[{"id":"10.13039\/501100012166","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["32071103","32471194"],"award-info":[{"award-number":["32071103","32471194"]}],"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":[[2025,10,13]]},"DOI":"10.1021\/acs.jcim.5c01255","type":"journal-article","created":{"date-parts":[[2025,9,30]],"date-time":"2025-09-30T03:07:43Z","timestamp":1759201663000},"page":"10532-10548","source":"Crossref","is-referenced-by-count":0,"title":["Molecular Dynamics and Neural Network Analysis Reveal Sequential Gating and Allosteric Communication in FMRFamide-Activated Sodium Channels"],"prefix":"10.1021","volume":"65","author":[{"given":"Jianlin","family":"Li","sequence":"first","affiliation":[{"name":"Academy of Medical Engineering and Translational Medicine, Medical College","place":["Tianjin, China"]},{"name":"Tianjin University","place":["Tianjin, China"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lu","family":"Li","sequence":"additional","affiliation":[{"name":"Academy of Medical Engineering and Translational Medicine, Medical College","place":["Tianjin, China"]},{"name":"Tianjin University","place":["Tianjin, China"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Zhiwei","family":"Gao","sequence":"additional","affiliation":[{"name":"Academy of Medical Engineering and Translational Medicine, Medical College","place":["Tianjin, China"]},{"name":"Tianjin University","place":["Tianjin, China"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0622-5070","authenticated-orcid":true,"given":"Yutao","family":"Tian","sequence":"additional","affiliation":[{"name":"Academy of Medical Engineering and Translational Medicine, Medical College","place":["Tianjin, China"]},{"name":"Tianjin University","place":["Tianjin, China"]},{"name":"Tianjin Key Laboratory of Brain Science and Neuroengineering","place":["Tianjin, China"]},{"name":"Haihe Laboratory of Brain-Computer Interaction and Human-Machine Integration","place":["Tianjin, China"]}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2025,9,29]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1038\/378730a0"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1152\/physrev.00007.2002"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-12-386481-9.00001-8"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1126\/science.877582"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.7150\/ijbs.106382"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1523\/JNEUROSCI.21-15-05559.2001"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1111\/j.1469-7793.2000.00013.x"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1007\/s00424-005-1498-z"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1038\/s41589-023-01401-7"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1038\/s41594-023-01198-y"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1038\/nsb1203-980"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-021-03819-2"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1126\/science.abj8754"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00935"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23702"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1038\/nmeth.4067"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21367"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20289"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21787"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1016\/S0263-7855(97)00009-X"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/ct500381c"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbaa161"},{"key":"ref26\/cit26","unstructured":"Kipf, T.; Fetaya, E.; Wang, K.; Welling, M. Neural Relational Inference for Interacting Systems, International Conference on Machine Learning; 2018; pp 2688\u20132697."},{"key":"ref27\/cit27","unstructured":"Paszke, A. Pytorch: An imperative style, high-performance deep learning library, arXiv:1912.01703. arXiv.org e-Print archive. https:\/\/arxiv.org\/abs\/1912.01703."},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1107\/S0021889806035059"},{"issue":"1","key":"ref29\/cit29","first-page":"82","volume":"40","author":"DeLano W.","year":"2002","journal-title":"CCP4 Newsl. Protein Crystallogr."},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M115.710251"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1007\/s00424-023-02817-9"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1038\/nature06163"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1038\/nature08218"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1016\/j.cell.2014.01.011"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.4c04289"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.7554\/eLife.56527"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1038\/nature25782"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.7554\/eLife.39340"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.7554\/eLife.59038"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M805302200"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.7554\/eLife.51111"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.RA117.000604"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2023.102737"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-biophys-050511-102222"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1039\/b819720b"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1152\/physiol.00006.2012"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1111\/febs.13840"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M117.814707"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1113\/JP282309"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1016\/j.gene.2015.12.061"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1038\/s42003-022-04399-1"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1016\/S0896-6273(00)81144-7"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1016\/j.jbc.2022.102086"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21287"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-022-29331-3"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1007\/s00424-017-2021-z"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1016\/j.neuropharm.2014.12.016"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2025.01.004"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c01255","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c01255","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,13]],"date-time":"2025-10-13T08:18:10Z","timestamp":1760343490000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.5c01255"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,9,29]]},"references-count":59,"journal-issue":{"issue":"19","published-print":{"date-parts":[[2025,10,13]]}},"alternative-id":["10.1021\/acs.jcim.5c01255"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.5c01255","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2025,9,29]]}}}