{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,1]],"date-time":"2026-04-01T05:16:33Z","timestamp":1775020593589,"version":"3.50.1"},"reference-count":56,"publisher":"American Chemical Society (ACS)","issue":"10","license":[{"start":{"date-parts":[[2023,5,5]],"date-time":"2023-05-05T00:00:00Z","timestamp":1683244800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["FOR2518-P6"],"award-info":[{"award-number":["FOR2518-P6"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2023,5,22]]},"DOI":"10.1021\/acs.jcim.3c00380","type":"journal-article","created":{"date-parts":[[2023,5,5]],"date-time":"2023-05-05T11:16:37Z","timestamp":1683285397000},"page":"2911-2917","source":"Crossref","is-referenced-by-count":12,"title":["Machine Learning-Based Modeling of Olfactory Receptors in Their Inactive State: Human OR51E2 as a Case Study"],"prefix":"10.1021","volume":"63","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4509-4517","authenticated-orcid":true,"given":"Mercedes","family":"Alfonso-Prieto","sequence":"first","affiliation":[{"name":"Computational Biomedicine, Institute for Advanced Simulation IAS-5\/Institute for Neuroscience and Medicine INM-9, Forschungszentrum J\u00fclich GmbH, Wilhelm-Johnen-Stra\u00dfe, D-52428 J\u00fclich, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9522-3132","authenticated-orcid":true,"given":"Riccardo","family":"Capelli","sequence":"additional","affiliation":[{"name":"Dipartimento di Bioscienze, Universit\u00e0 degli Studi di Milano, Via Celoria 26, I-20133 Milan, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2023,5,5]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/0092-8674(91)90418-X"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1124\/mol.63.6.1256"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1152\/physrev.00013.2017"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1007\/s00232-021-00182-1"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1038\/d41586-022-01631-0"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/j.tips.2022.08.003"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.cell.2017.11.033"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.1c01495"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1038\/s41573-018-0002-3"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.3390\/ijms20061402"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-021-03819-2"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1038\/s41594-022-00849-w"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1038\/s41592-021-01362-6"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1038\/s41592-021-01360-8"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1002\/prot.26382"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.7554\/eLife.75751"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1038\/s41591-021-01533-0"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-017-16001-4"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-023-05798-y"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gky427"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkab1061"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1126\/science.abj8754"},{"key":"ref23\/cit23","doi-asserted-by":"crossref","unstructured":"Wu, R.; Ding, F.; Wang, R.; Shen, R.; Zhang, X.; Luo, S.; Su, C.; Wu, Z.; Xie, Q.; Berger, B.; Ma, J.; Peng, J. High-resolution de novo structure prediction from primary sequence.\n                      bioRxiv\n                      , 2022","DOI":"10.1101\/2022.07.21.500999"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1126\/science.ade2574"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkac1013"},{"key":"ref26\/cit26","volume-title":"Modern Multidimensional Scaling","year":"2005"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20945"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00604"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1016\/j.str.2014.06.012"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbac308"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c00752"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkac307"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1007\/s00018-023-04765-0"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1038\/nmeth.3213"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1002\/prot.24098"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1002\/prot.26161"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c01238"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.3389\/fmolb.2017.00063"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1124\/pr.119.017863"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1016\/j.csbj.2020.05.003"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1038\/s41592-022-01685-y"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.3390\/ijms23010277"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1038\/s41592-022-01760-4"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-017-15707-9"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.5b04659"},{"key":"ref46\/cit46","unstructured":"Maestro 2022-4; Schr\u00f6dinger,\nLLC: New York, 2022."},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00935"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1038\/nmeth.4067"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1063\/1.2408420"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1063\/5.0020514"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1038\/s41592-020-0884-y"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1016\/j.softx.2015.06.001"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2013.09.018"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1038\/s41592-019-0506-8"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1521-3773(19990115)38:1\/2<236::AID-ANIE236>3.0.CO;2-M"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c00380","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c00380","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,5,22]],"date-time":"2023-05-22T04:11:06Z","timestamp":1684728666000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.3c00380"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,5,5]]},"references-count":56,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2023,5,22]]}},"alternative-id":["10.1021\/acs.jcim.3c00380"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.3c00380","relation":{"has-preprint":[{"id-type":"doi","id":"10.1101\/2023.02.22.529484","asserted-by":"object"}]},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,5,5]]}}}