{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,27]],"date-time":"2026-02-27T10:21:42Z","timestamp":1772187702208,"version":"3.50.1"},"reference-count":53,"publisher":"American Chemical Society (ACS)","issue":"20","license":[{"start":{"date-parts":[[2023,10,12]],"date-time":"2023-10-12T00:00:00Z","timestamp":1697068800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2023,10,12]],"date-time":"2023-10-12T00:00:00Z","timestamp":1697068800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2023,10,12]],"date-time":"2023-10-12T00:00:00Z","timestamp":1697068800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico","doi-asserted-by":"publisher","award":["140306\/2020-0"],"award-info":[{"award-number":["140306\/2020-0"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico","doi-asserted-by":"publisher","award":["310017\/2020-3"],"award-info":[{"award-number":["310017\/2020-3"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico","doi-asserted-by":"publisher","award":["442352\/2014-0"],"award-info":[{"award-number":["442352\/2014-0"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico","doi-asserted-by":"publisher","award":["442951\/2014-0"],"award-info":[{"award-number":["442951\/2014-0"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo","doi-asserted-by":"publisher","award":["2014\/17630-0"],"award-info":[{"award-number":["2014\/17630-0"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo","doi-asserted-by":"publisher","award":["2016\/08753-6"],"award-info":[{"award-number":["2016\/08753-6"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo","doi-asserted-by":"publisher","award":["2019\/22540-3"],"award-info":[{"award-number":["2019\/22540-3"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo","doi-asserted-by":"publisher","award":["2019\/24974-0"],"award-info":[{"award-number":["2019\/24974-0"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo","doi-asserted-by":"publisher","award":["2021\/15028-4"],"award-info":[{"award-number":["2021\/15028-4"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo","doi-asserted-by":"publisher","award":["2023\/02219-1"],"award-info":[{"award-number":["2023\/02219-1"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002322","name":"Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior","doi-asserted-by":"publisher","award":["2016\/08753-6"],"award-info":[{"award-number":["2016\/08753-6"]}],"id":[{"id":"10.13039\/501100002322","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002322","name":"Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior","doi-asserted-by":"publisher","award":["88887.661619\/2022-00"],"award-info":[{"award-number":["88887.661619\/2022-00"]}],"id":[{"id":"10.13039\/501100002322","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002322","name":"Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior","doi-asserted-by":"publisher","award":["88887.799480\/2022-00"],"award-info":[{"award-number":["88887.799480\/2022-00"]}],"id":[{"id":"10.13039\/501100002322","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2023,10,23]]},"DOI":"10.1021\/acs.jcim.3c00955","type":"journal-article","created":{"date-parts":[[2023,10,12]],"date-time":"2023-10-12T16:15:40Z","timestamp":1697127340000},"page":"6344-6353","source":"Crossref","is-referenced-by-count":14,"title":["Unveiling Metastable Ensembles of GRB2 and the Relevance of Interdomain Communication during Folding"],"prefix":"10.1021","volume":"63","author":[{"given":"Raphael V. R.","family":"Dias","sequence":"first","affiliation":[{"name":"Department of Physics, S\u00e3o Paulo State University (UNESP), Institute of Biosciences, Humanities, and Exact Sciences, S\u00e3o Jos\u00e9 do Rio Preto, SP 15054-000, Brazil"},{"name":"Multiuser Center for Biomolecular Innovation (CMIB), S\u00e3o Paulo State University (UNESP), S\u00e3o Jos\u00e9 do Rio Preto, SP 15054-000, Brazil"}]},{"given":"Renan P.","family":"Pedro","sequence":"additional","affiliation":[{"name":"Department of Physics, S\u00e3o Paulo State University (UNESP), Institute of Biosciences, Humanities, and Exact Sciences, S\u00e3o Jos\u00e9 do Rio Preto, SP 15054-000, Brazil"},{"name":"Multiuser Center for Biomolecular Innovation (CMIB), S\u00e3o Paulo State University (UNESP), S\u00e3o Jos\u00e9 do Rio Preto, SP 15054-000, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9650-7989","authenticated-orcid":true,"given":"Murilo N.","family":"Sanches","sequence":"additional","affiliation":[{"name":"Department of Physics, S\u00e3o Paulo State University (UNESP), Institute of Biosciences, Humanities, and Exact Sciences, S\u00e3o Jos\u00e9 do Rio Preto, SP 15054-000, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2067-3168","authenticated-orcid":true,"given":"Giovana C.","family":"Moreira","sequence":"additional","affiliation":[{"name":"Department of Physics, S\u00e3o Paulo State University (UNESP), Institute of Biosciences, Humanities, and Exact Sciences, S\u00e3o Jos\u00e9 do Rio Preto, SP 15054-000, Brazil"},{"name":"Multiuser Center for Biomolecular Innovation (CMIB), S\u00e3o Paulo State University (UNESP), S\u00e3o Jos\u00e9 do Rio Preto, SP 15054-000, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0008-9079","authenticated-orcid":true,"given":"Vitor B. P.","family":"Leite","sequence":"additional","affiliation":[{"name":"Department of Physics, S\u00e3o Paulo State University (UNESP), Institute of Biosciences, Humanities, and Exact Sciences, S\u00e3o Jos\u00e9 do Rio Preto, SP 15054-000, Brazil"}]},{"given":"Icaro P.","family":"Caruso","sequence":"additional","affiliation":[{"name":"Department of Physics, S\u00e3o Paulo State University (UNESP), Institute of Biosciences, Humanities, and Exact Sciences, S\u00e3o Jos\u00e9 do Rio Preto, SP 15054-000, Brazil"},{"name":"Multiuser Center for Biomolecular Innovation (CMIB), S\u00e3o Paulo State University (UNESP), S\u00e3o Jos\u00e9 do Rio Preto, SP 15054-000, Brazil"}]},{"given":"Fernando A.","family":"de Melo","sequence":"additional","affiliation":[{"name":"Department of Physics, S\u00e3o Paulo State University (UNESP), Institute of Biosciences, Humanities, and Exact Sciences, S\u00e3o Jos\u00e9 do Rio Preto, SP 15054-000, Brazil"},{"name":"Multiuser Center for Biomolecular Innovation (CMIB), S\u00e3o Paulo State University (UNESP), S\u00e3o Jos\u00e9 do Rio Preto, SP 15054-000, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6932-6792","authenticated-orcid":true,"given":"Leandro C.","family":"de Oliveira","sequence":"additional","affiliation":[{"name":"Department of Physics, S\u00e3o Paulo State University (UNESP), Institute of Biosciences, Humanities, and Exact Sciences, S\u00e3o Jos\u00e9 do Rio Preto, SP 15054-000, Brazil"}]}],"member":"316","published-online":{"date-parts":[[2023,10,12]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbn057"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1016\/j.str.2006.11.009"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1101\/cshperspect.a005918"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1007\/s12192-016-0697-1"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1093\/protein\/gzq096"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/j.molmed.2012.03.005"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1007\/s10545-010-9185-4"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.4155\/fso.15.57"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbapap.2019.03.001"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.4161\/pri.22118"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/ja3045663"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.2c00140"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.REV119.006794"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.2976\/1.2991513"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1708173115"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b01146"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.medidd.2022.100126"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.abe9254"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1111\/j.1600-065X.2009.00842.x"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1126\/science.7716522"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/0014-5793(95)00578-W"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/15.4.327"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1007\/s12551-012-0081-z"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1098\/rstb.2012.0107"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-020-70034-w"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/bi802291y"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.9b10710"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.0c00813"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1004933"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2004138117"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpc.2022.106792"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1016\/j.abb.2022.109444"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpc.2023.106973"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1111\/j.1399-3011.1975.tb02465.x"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.2000.3693"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/jp0769835"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1002\/prot.22253"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1004794"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1002\/pro.4209"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/ct700301q"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1016\/0010-4655(95)00042-E"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1016\/0378-4371(93)90339-6"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00704"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1057\/palgrave.ivs.9500054"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1110\/ps.0302503"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1998.1645"},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"531","DOI":"10.1385\/1-59259-584-7:531","volume-title":"2-D Proteome Analysis Protocols","volume":"112","author":"Wilkins M. R.","year":"1999"},{"key":"ref48\/cit48","doi-asserted-by":"crossref","DOI":"10.1007\/978-0-387-46312-4","volume-title":"Principles of Fluorescence Spectroscopy","author":"Lakowicz J. R.","year":"2006"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1016\/j.colsurfb.2019.03.022"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.1c10750"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/j100003a031"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.94.1.148"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0510110103"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c00955","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c00955","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,10,23]],"date-time":"2023-10-23T08:23:28Z","timestamp":1698049408000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.3c00955"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,10,12]]},"references-count":53,"journal-issue":{"issue":"20","published-print":{"date-parts":[[2023,10,23]]}},"alternative-id":["10.1021\/acs.jcim.3c00955"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.3c00955","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,10,12]]}}}