{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,8]],"date-time":"2026-04-08T22:48:58Z","timestamp":1775688538867,"version":"3.50.1"},"reference-count":104,"publisher":"American Chemical Society (ACS)","issue":"4","license":[{"start":{"date-parts":[[2025,1,30]],"date-time":"2025-01-30T00:00:00Z","timestamp":1738195200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,1,30]],"date-time":"2025-01-30T00:00:00Z","timestamp":1738195200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,1,30]],"date-time":"2025-01-30T00:00:00Z","timestamp":1738195200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100003725","name":"National Research Foundation of Korea","doi-asserted-by":"publisher","award":["2018R1D1A1B07042015"],"award-info":[{"award-number":["2018R1D1A1B07042015"]}],"id":[{"id":"10.13039\/501100003725","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003725","name":"National Research Foundation of Korea","doi-asserted-by":"publisher","award":["2023R1A2C1002559"],"award-info":[{"award-number":["2023R1A2C1002559"]}],"id":[{"id":"10.13039\/501100003725","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003725","name":"National Research Foundation of Korea","doi-asserted-by":"publisher","award":["RS-2024-00411137"],"award-info":[{"award-number":["RS-2024-00411137"]}],"id":[{"id":"10.13039\/501100003725","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003052","name":"Ministry of Trade, Industry and Energy","doi-asserted-by":"publisher","award":["RS-2023-00262743"],"award-info":[{"award-number":["RS-2023-00262743"]}],"id":[{"id":"10.13039\/501100003052","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2025,2,24]]},"DOI":"10.1021\/acs.jcim.4c01857","type":"journal-article","created":{"date-parts":[[2025,1,30]],"date-time":"2025-01-30T16:09:32Z","timestamp":1738253372000},"page":"1940-1952","source":"Crossref","is-referenced-by-count":4,"title":["Microscopic Heterogeneity Driven by Molecular Aggregation and Water Dynamics in Aqueous Osmolyte Solutions"],"prefix":"10.1021","volume":"65","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0085-9774","authenticated-orcid":true,"given":"Jiwon","family":"Seo","sequence":"first","affiliation":[{"name":"Department of Chemistry, Gwangju Institute of Science and Technology (GIST), 123 Cheomdangwagi-ro, Buk-gu, Gwangju 61005, Republic of Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5402-5068","authenticated-orcid":true,"given":"Ravi","family":"Singh","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Gwangju Institute of Science and Technology (GIST), 123 Cheomdangwagi-ro, Buk-gu, Gwangju 61005, Republic of Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5237-5566","authenticated-orcid":true,"given":"Jun-Ho","family":"Choi","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Gwangju Institute of Science and Technology (GIST), 123 Cheomdangwagi-ro, Buk-gu, Gwangju 61005, Republic of Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2025,1,30]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1126\/science.7112124"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1111\/j.0022-202X.2004.23313.x"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.physchem.59.032607.093635"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.bb.22.060193.000435"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-physchem-040412-110156"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/S0006-3495(85)83932-1"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/ja004206b"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1403224111"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/jp404780c"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.2c00281"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1039\/D3CP03357K"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0606236103"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0930122100"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/ja909348c"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/jp504065e"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/jp9084926"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.5b01087"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-physchem-050317-020915"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/cr8003828"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.5b02579"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/jp809521t"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/jp112001d"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2022.119120"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/jp4037217"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1063\/1.3464768"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.1c00527"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.5b08029"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1007\/s12039-016-1194-x"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1039\/D2CP02475F"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/jp212542q"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.99.148301"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.1c10634"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.6b07751"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1002\/asia.201402696"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.3c01382"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.0c00378"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.2c06335"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2023.121998"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2006.08.010"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1038\/416829a"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/jp0111517"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/jp9806359"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1016\/j.saa.2018.01.068"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/j100154a059"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/jp9929061"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1016\/j.fluid.2007.05.016"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.0c00717"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1063\/1.4892411"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1063\/1.4874637"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1039\/C6CP04676B"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.71.024201"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/jp037922j"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1016\/j.comptc.2013.05.018"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1063\/1.464521"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/jp107881j"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1039\/c0cp01802c"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2022.120949"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1039\/D4CP02238F"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.1c03122"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.7b10730"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1063\/1.4897638"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-020-66710-6"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2023.122123"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/jp300193j"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1039\/d0cp05126h"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-022-11947-6"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1039\/c3cp52271g"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1039\/D0CP01991G"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2021.118339"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1063\/1.2996348"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1063\/1.467839"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21224"},{"key":"ref73\/cit73","unstructured":"Case, D. A.; Belfon, K.; Ben-Shalom, I. Y.; Brozell, S. R.; Cerutti, D. S.; Cheatham, T. E.; Cruzeiro, V. W. D.; Darden, T. A.; Duke, R. E.; Giambasu, G.; Gilson, M. K.; Gohlke, H.; Goetz, A. W.; Harris, R.; Izadi, S.; Izmailov, S. A.; Kasavajhala, K.; Kovalenko, A.; Krasny, R.; Kurtzman, T.; Lee, T. S.; LeGrand, S.; Li, P.; Lin, C.; Liu, J.; Luchko, T.; Luo, R.; Man, V.; Merz, K. M.; Miao, Y.; Mikhailovskii, O.; Monard, G.; Nguyen, H.; Onufriev, A.; Pan, F.; Pantano, S.; Qi, R.; Roe, D. R.; Roitberg, A.; Sagui, C.; Schott-Verdugo, S.; Shen, J.; Simmerling, C. L.; Skrynnikov, N. R.; Smith, J.; Swails, J.; Walker, R. C.; Wang, J.; Wilson, L.; Wolf, R. M.; Wu, X.; Xiong, Y.; Xue, Y.; York, D. M.; Kollman, P. A. AMBER 2020; University of California: San Francisco, 2020."},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1063\/1.465608"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/jp0609378"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.3390\/min4010118"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1142\/s0219633602000117"},{"key":"ref78\/cit78","volume-title":"Algebraic Graph Theory","author":"Biggs N.","year":"1993"},{"key":"ref79\/cit79","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4613-0163-9","volume-title":"Algebraic Graph Theory","author":"Godsil C.","year":"2001"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1039\/D1CP00634G"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1039\/b308248b"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP06796E"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1021\/jp983690q"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1021\/jp0736894"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1039\/C4CP05970K"},{"key":"ref86\/cit86","doi-asserted-by":"crossref","unstructured":"Schilcher, U.; Gyarmati, M.; Bettstetter, C.; Chung, Y. W.; Kim, Y. H. Measuring Inhomogeneity in Spatial Distributions, VTC Spring 2008-IEEE Vehicular Technology Conference; IEEE, 2008; pp 2690\u20132694.","DOI":"10.1109\/VETECS.2008.589"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1016\/j.actamat.2018.07.040"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1021\/jp011673m"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1021\/jp003020w"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1039\/f19757101127"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1039\/b005319h"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.5b07248"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1063\/1.1740082"},{"key":"ref94\/cit94","doi-asserted-by":"publisher","DOI":"10.1143\/JPSJ.12.570"},{"key":"ref95\/cit95","doi-asserted-by":"publisher","DOI":"10.1063\/1.5120456"},{"key":"ref96\/cit96","doi-asserted-by":"publisher","DOI":"10.1063\/1.2353831"},{"key":"ref97\/cit97","doi-asserted-by":"publisher","DOI":"10.1063\/1.1681017"},{"key":"ref98\/cit98","doi-asserted-by":"publisher","DOI":"10.3866\/pku.whxb20111107"},{"key":"ref99\/cit99","doi-asserted-by":"publisher","DOI":"10.1038\/379055a0"},{"key":"ref100\/cit100","doi-asserted-by":"publisher","DOI":"10.1016\/S0167-7322(01)00342-7"},{"key":"ref101\/cit101","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.3c08470"},{"key":"ref102\/cit102","doi-asserted-by":"publisher","DOI":"10.1038\/s42004-022-00726-z"},{"key":"ref103\/cit103","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0308633101"},{"key":"ref104\/cit104","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.2c08505"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c01857","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c01857","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,2,24]],"date-time":"2025-02-24T09:18:54Z","timestamp":1740388734000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.4c01857"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,1,30]]},"references-count":104,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2025,2,24]]}},"alternative-id":["10.1021\/acs.jcim.4c01857"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.4c01857","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,1,30]]}}}