{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,13]],"date-time":"2026-04-13T13:03:30Z","timestamp":1776085410424,"version":"3.50.1"},"reference-count":79,"publisher":"American Chemical Society (ACS)","issue":"7","license":[{"start":{"date-parts":[[2026,3,25]],"date-time":"2026-03-25T00:00:00Z","timestamp":1774396800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,3,25]],"date-time":"2026-03-25T00:00:00Z","timestamp":1774396800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,3,25]],"date-time":"2026-03-25T00:00:00Z","timestamp":1774396800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100004359","name":"Vetenskapsr?det","doi-asserted-by":"publisher","award":["2022 - 06725"],"award-info":[{"award-number":["2022 - 06725"]}],"id":[{"id":"10.13039\/501100004359","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004359","name":"Vetenskapsr?det","doi-asserted-by":"publisher","award":["2022-04305"],"award-info":[{"award-number":["2022-04305"]}],"id":[{"id":"10.13039\/501100004359","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004359","name":"Vetenskapsr?det","doi-asserted-by":"publisher","award":["VR 201902433"],"award-info":[{"award-number":["VR 201902433"]}],"id":[{"id":"10.13039\/501100004359","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004063","name":"Knut och Alice Wallenbergs Stiftelse","doi-asserted-by":"publisher","award":["2019.0130"],"award-info":[{"award-number":["2019.0130"]}],"id":[{"id":"10.13039\/501100004063","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2026,4,13]]},"DOI":"10.1021\/acs.jcim.6c00224","type":"journal-article","created":{"date-parts":[[2026,3,25]],"date-time":"2026-03-25T12:31:33Z","timestamp":1774441893000},"page":"4161-4173","source":"Crossref","is-referenced-by-count":0,"title":["Unveiling the Activation Mechanism of Glucagon-Like Peptide-1 Receptor by an Ago-Allosteric Modulator via Molecular Dynamics Simulations"],"prefix":"10.1021","volume":"66","author":[{"ORCID":"https:\/\/orcid.org\/0009-0007-1834-2577","authenticated-orcid":true,"given":"Yue","family":"Chen","sequence":"first","affiliation":[{"name":"School of Biological Sciences, Nanyang Technological University, 60 Nanyang Drive, Singapore 637551, Singapore"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1497-7993","authenticated-orcid":true,"given":"Junhao","family":"Li","sequence":"additional","affiliation":[{"name":"Viva Biotech (Shanghai) Limited, 735 Ziping Road, Pudong New District, Shanghai 201318, P. R. China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0828-3899","authenticated-orcid":true,"given":"Lucie","family":"Delemotte","sequence":"additional","affiliation":[{"name":"Science for Life Laboratory, Department of Applied Physics","place":["Stockholm, Sweden"]},{"name":"KTH Royal Institute of Technology","place":["Stockholm, Sweden"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2499-026X","authenticated-orcid":true,"given":"Yuguang","family":"Mu","sequence":"additional","affiliation":[{"name":"School of Biological Sciences, Nanyang Technological University, 60 Nanyang Drive, Singapore 637551, Singapore"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2026,3,25]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1152\/ajpendo.00236.2023"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1016\/j.molmet.2021.101351"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1002\/dmrr.3070"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/acs.molpharmaceut.9b00308"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1016\/j.cmet.2024.09.003"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1038\/s41569-023-00849-3"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.cmet.2023.11.009"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1016\/j.kint.2023.09.029"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-pharmtox-061324-011832"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1186\/s12933-021-01417-0"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1056\/NEJMoa2312323"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1056\/NEJMoa2028395"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1124\/pr.55.1.6"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1038\/nature22394"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/j.tips.2025.03.003"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1172\/JCI75276"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1007\/s40262-018-0668-z"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1016\/j.mcna.2014.08.013"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1126\/scitranslmed.aar7047"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1001\/jamanetworkopen.2023.14493"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1111\/dom.15643"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/S0140-6736(23)01302-8"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.201800699"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1038\/s41589-020-0589-7"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0605701104"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1016\/bs.apha.2020.02.001"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1124\/jpet.110.166009"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-021-24058-z"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1038\/s41594-017-0011-7"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.6b00177"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1038\/nrd3859"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M116.726620"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2007.06.086"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1210\/en.137.5.2175"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1124\/pr.115.011395"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.5b01018"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00553"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2008.10.039"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/ml400489b"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M109.033829"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1210\/me.2011-1160"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M116.721977"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1016\/j.cell.2016.05.023"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2014879117"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1016\/j.tips.2022.01.002"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1016\/j.cub.2018.02.027"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1016\/j.tips.2021.04.006"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-021-27760-0"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1038\/s41392-024-01803-6"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1038\/s41589-021-00945-w"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1016\/j.pharmr.2025.100056"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1038\/s12276-025-01497-y"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-021-25020-9"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-025-56434-4"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/acs.biochem.9b00842"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.7554\/eLife.84808"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1101\/2023.04.05.535698"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1110499108"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2018.07.008"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1016\/j.jbc.2025.108530"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1038\/nature22378"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-020-14934-5"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1002\/cpbi.3"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23702"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1038\/nmeth.4067"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1021\/ct700200b"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2019.12.016"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1021\/jp0777059"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1088\/2632-2153\/ac3de0"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1021\/ct100494z"},{"key":"ref72\/cit72","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Petersson, G. A.; Nakatsuji, H.\n                      Gaussian 16, Revision C.02\n                      ; Gaussian Inc.: Wallingford CT, 2016."},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1063\/1.2834918"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2023.102768"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2024.102820"},{"key":"ref76\/cit76","volume-title":"Dynamical Network Analysis","author":"Stone J.","year":"2012"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bts546"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1145\/367766.368168"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.122653799"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6c00224","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6c00224","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,4,13]],"date-time":"2026-04-13T12:23:47Z","timestamp":1776083027000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.6c00224"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,3,25]]},"references-count":79,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2026,4,13]]}},"alternative-id":["10.1021\/acs.jcim.6c00224"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.6c00224","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,3,25]]}}}