{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,4]],"date-time":"2025-11-04T16:04:09Z","timestamp":1762272249122,"version":"3.37.3"},"reference-count":95,"publisher":"American Chemical Society (ACS)","issue":"5","funder":[{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["GM072558","GM070855"],"award-info":[{"award-number":["GM072558","GM070855"]}],"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":[[2018,5,29]]},"DOI":"10.1021\/acs.jcim.8b00132","type":"journal-article","created":{"date-parts":[[2018,4,6]],"date-time":"2018-04-06T19:43:29Z","timestamp":1523043809000},"page":"993-1004","source":"Crossref","is-referenced-by-count":49,"title":["Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator"],"prefix":"10.1021","volume":"58","author":[{"given":"Fang-Yu","family":"Lin","sequence":"first","affiliation":[{"name":"Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 Penn Street, Baltimore, Maryland 21201, United States"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7383-7886","authenticated-orcid":true,"given":"Pedro E. M.","family":"Lopes","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 Penn Street, Baltimore, Maryland 21201, United States"}]},{"given":"Edward","family":"Harder","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, Illinois, 60637, United States"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5254-2712","authenticated-orcid":true,"given":"Beno\u00eet","family":"Roux","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, Illinois, 60637, United States"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8287-6804","authenticated-orcid":true,"suffix":"Jr.","given":"Alexander D.","family":"MacKerell","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 Penn Street, Baltimore, Maryland 21201, United States"}]}],"member":"316","published-online":{"date-parts":[[2018,4,6]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1038\/nsb0902-646"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20082"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/jp012750g"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/cr0403640"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/cr0403741"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/ct700127w"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1126\/science.1158006"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1038\/nphys1713"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-009-0617-x"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.74"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/jp973084f"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21287"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20289"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/jz101461d"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23937"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.softx.2015.06.001"},{"journal-title":"J. Comput. Chem.","year":"2018","author":"Huang J.","key":"ref17\/cit17"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1063\/1.1598191"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2005.10.135"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1063\/1.4774577"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/jp053182y"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/ct700100a"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/jp0663614"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21183"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/ct600350s"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1007\/s00894-009-0572-4"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21527"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1002\/bip.22286"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b01086"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/jp709729d"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1063\/1.4818731"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/ct400781b"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/jp402860e"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00262"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.5b01767"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-017-0010-0"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/j.carres.2018.01.004"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/jp1092338"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23611"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00067"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00068"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/ct900576a"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.5b00505"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/ct9005773"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.93"},{"volume-title":"Gaussian 03","year":"2003","author":"Frisch M. J.","key":"ref46\/cit46"},{"key":"ref47\/cit47","unstructured":"http:\/\/cccbdb.nist.gov (accessed\nOct 8, 2017),"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/jp960976r"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/ja00504a009"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.38.3098"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1016\/0166-1280(88)80397-X"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1063\/1.456153"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1080\/00268977300100051"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21367"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/cr00023a004"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1063\/1.1589749"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1063\/1.470117"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540040211"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540150702"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1063\/1.447334"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.31.1695"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1063\/1.467468"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(77)90098-5"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1080\/00268979600100761"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1021\/ct500195p"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.6b12691"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1021\/jp056043p"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1063\/1.1587122"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1063\/1.3027513"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1063\/1.2172593"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1063\/1.2201698"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1021\/jp048502c"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540130812"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1021\/jp030458y"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1039\/b109595a"},{"key":"ref78\/cit78","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4020-8270-2","volume-title":"Solvation Effects on Molecules and Biomolecules\u2013Computational Methods and Applications","author":"Canuto S.","year":"2008","edition":"1"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1021\/ct300156h"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1021\/jp711492h"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1021\/jp063552y"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1063\/1.5000799"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20945"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1021\/ct049930p"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1021\/ct600180x"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1021\/ja00179a044"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(199802)19:3<334::AID-JCC7>3.0.CO;2-U"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(20000130)21:2<86::AID-JCC2>3.0.CO;2-G"},{"volume-title":"Encyclopedia of computational chemistry","year":"1998","author":"MacKerell A. D.","key":"ref89\/cit89"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1063\/1.466711"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1021\/ct900234u"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1007\/BF00646936"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1021\/ct050164b"},{"key":"ref94\/cit94","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.6b00440"},{"key":"ref95\/cit95","unstructured":"Lemkul; MacKerell. work in progress."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.8b00132","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,27]],"date-time":"2023-04-27T11:21:38Z","timestamp":1682594498000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.8b00132"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2018,4,6]]},"references-count":95,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2018,5,29]]}},"alternative-id":["10.1021\/acs.jcim.8b00132"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.8b00132","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2018,4,6]]}}}