{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,9]],"date-time":"2026-05-09T09:56:06Z","timestamp":1778320566288,"version":"3.51.4"},"reference-count":63,"publisher":"American Chemical Society (ACS)","issue":"5","license":[{"start":{"date-parts":[[2023,2,21]],"date-time":"2023-02-21T00:00:00Z","timestamp":1676937600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2023,2,21]],"date-time":"2023-02-21T00:00:00Z","timestamp":1676937600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2023,2,21]],"date-time":"2023-02-21T00:00:00Z","timestamp":1676937600000},"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":["2021-04513"],"award-info":[{"award-number":["2021-04513"]}],"id":[{"id":"10.13039\/501100004359","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["R01GM132481"],"award-info":[{"award-number":["R01GM132481"]}],"id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2023,3,13]]},"DOI":"10.1021\/acs.jcim.2c01629","type":"journal-article","created":{"date-parts":[[2023,2,21]],"date-time":"2023-02-21T19:23:53Z","timestamp":1677007433000},"page":"1556-1569","source":"Crossref","is-referenced-by-count":20,"title":["Mechanistic Basis for a Connection between the Catalytic Step and Slow Opening Dynamics of Adenylate Kinase"],"prefix":"10.1021","volume":"63","author":[{"given":"Beata","family":"Dulko-Smith","sequence":"first","affiliation":[{"name":"Department of Chemistry and Biochemistry, University of Texas at Arlington, Arlington, Texas 76019, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Pedro","family":"Ojeda-May","sequence":"additional","affiliation":[{"name":"High Performance Computing Centre North (HPC2N), Ume\u00e5 University, Ume\u00e5 SE-90187, Sweden"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4480-1219","authenticated-orcid":true,"given":"J\u00f6rgen","family":"\u00c5d\u00e9n","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Ume\u00e5 University, Ume\u00e5 SE-90187, Sweden"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9098-7974","authenticated-orcid":true,"given":"Magnus","family":"Wolf-Watz","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Ume\u00e5 University, Ume\u00e5 SE-90187, Sweden"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0723-7839","authenticated-orcid":true,"given":"Kwangho","family":"Nam","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry, University of Texas at Arlington, Arlington, Texas 76019, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2023,2,21]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/0014-5793(96)00367-5"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0163115"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0108676"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1126\/science.aaf6846"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1016\/0022-2836(92)90582-5"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/S0969-2126(96)00018-4"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1700919114"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-017-16266-9"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/bi00413a020"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/bi00484a014"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/bi00479a007"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/bi00501a013"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/bi00242a002"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/bi00236a029"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/bi00076a019"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/S0021-9258(17)37162-4"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/bi00010a006"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0507527103"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.biochem.1c00221"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1038\/nsmb821"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1038\/ncomms1106"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/bi301460k"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0708600104"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1038\/nsmb.2941"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1720448115"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/acs.analchem.7b03591"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201606238"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2010.05.015"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemphys.2011.08.015"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2015.08.049"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/ja0780481"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b01064"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0706443104"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.2c05497"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1038\/nature06410"},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"119","DOI":"10.1002\/9780470125847.ch3","volume-title":"Reviews in Computational Chemistry","author":"Gao J.","year":"1996"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540110605"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/ct5005643"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00322"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/jp973084f"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(20000130)21:2<86::AID-JCC2>3.0.CO;2-G"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20065"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/ja036959e"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21287"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1005659"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1063\/1.470648"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(77)90098-5"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1063\/1.470117"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/ct6002466"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/ct049941i"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1063\/1.3130083"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1063\/1.3544209"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(77)90121-8"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540130812"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.38.3098"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.37.785"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/ja00299a024"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1016\/S0021-9258(18)92037-5"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/acs.biochem.9b00538"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1098\/rspl.1895.0041"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/ja3032482"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c01629","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c01629","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,12,7]],"date-time":"2023-12-07T09:56:56Z","timestamp":1701943016000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.2c01629"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,2,21]]},"references-count":63,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2023,3,13]]}},"alternative-id":["10.1021\/acs.jcim.2c01629"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.2c01629","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,2,21]]}}}