{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,17]],"date-time":"2026-04-17T00:56:17Z","timestamp":1776387377835,"version":"3.51.2"},"reference-count":106,"publisher":"American Chemical Society (ACS)","issue":"11","license":[{"start":{"date-parts":[[2020,3,16]],"date-time":"2020-03-16T00:00:00Z","timestamp":1584316800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2020,3,16]],"date-time":"2020-03-16T00:00:00Z","timestamp":1584316800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2020,3,16]],"date-time":"2020-03-16T00:00:00Z","timestamp":1584316800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["21575128"],"award-info":[{"award-number":["21575128"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["81773632"],"award-info":[{"award-number":["81773632"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004731","name":"Natural Science Foundation of Zhejiang Province","doi-asserted-by":"publisher","award":["LZ19H300001"],"award-info":[{"award-number":["LZ19H300001"]}],"id":[{"id":"10.13039\/501100004731","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Zhejiang Province","award":["2020C03010"],"award-info":[{"award-number":["2020C03010"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2020,11,23]]},"DOI":"10.1021\/acs.jcim.0c00024","type":"journal-article","created":{"date-parts":[[2020,3,16]],"date-time":"2020-03-16T15:48:33Z","timestamp":1584373713000},"page":"5353-5365","source":"Crossref","is-referenced-by-count":56,"title":["Development and Evaluation of MM\/GBSA Based on a Variable Dielectric GB Model for Predicting Protein\u2013Ligand Binding Affinities"],"prefix":"10.1021","volume":"60","author":[{"given":"Ercheng","family":"Wang","sequence":"first","affiliation":[{"name":"Hangzhou Institute of Innovative Medicine, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou Zhejiang 310058, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1267-2475","authenticated-orcid":true,"given":"Hui","family":"Liu","sequence":"additional","affiliation":[{"name":"Hangzhou Institute of Innovative Medicine, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou Zhejiang 310058, China"}]},{"given":"Junmei","family":"Wang","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States"}]},{"given":"Gaoqi","family":"Weng","sequence":"additional","affiliation":[{"name":"Hangzhou Institute of Innovative Medicine, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou Zhejiang 310058, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7107-7481","authenticated-orcid":true,"given":"Huiyong","family":"Sun","sequence":"additional","affiliation":[{"name":"Hangzhou Institute of Innovative Medicine, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou Zhejiang 310058, China"}]},{"given":"Zhe","family":"Wang","sequence":"additional","affiliation":[{"name":"Hangzhou Institute of Innovative Medicine, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou Zhejiang 310058, China"}]},{"given":"Yu","family":"Kang","sequence":"additional","affiliation":[{"name":"Hangzhou Institute of Innovative Medicine, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou Zhejiang 310058, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7227-2580","authenticated-orcid":true,"given":"Tingjun","family":"Hou","sequence":"additional","affiliation":[{"name":"Hangzhou Institute of Innovative Medicine, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou Zhejiang 310058, China"}]}],"member":"316","published-online":{"date-parts":[[2020,3,16]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.2174\/1568026616666161117112604"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.8b00498"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.7b00419"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/jm401908w"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.3389\/fphar.2018.01089"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.2174\/1568026614666140929124445"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1208\/s12248-012-9322-0"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.4155\/fmc.13.186"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/S1093-3263(03)00153-0"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1063\/1.2221680"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1002\/prot.340040104"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/ja047115d"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-biophys-083012-130318"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2011.01.011"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/S0006-3495(97)78756-3"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.biophys.36.040306.132550"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.str.2009.02.010"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2007.06.002"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1063\/1.4769292"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/ja808175m"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/cr800551w"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/jm960684e"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1016\/S1367-5931(97)80038-5"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2016.11.021"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/ja0103288"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20617"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-018-23039-5"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.26130"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.1999.10508331"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-012-9606-6"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-61779-465-0_27"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1002\/prot.340150103"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/ct200163c"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.2174\/138955712800493843"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1023\/A:1007930623000"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-018-0162-6"},{"key":"ref37\/cit37","unstructured":"Jia, Z.; Agrawal, V.; Liu, Y. L.; Han, T. T.; Dominy, B. Truth and lies of MM\/GBSA.  Abstracts of Papers, 251st National Meeting of the American Chemical Society, San Diego, CA, Mar 13\u201317, 2016; American Chemical Society: Washington, DC, 2016."},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2015.10.012"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21366"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.3389\/fmolb.2017.00087"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.9b00055"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/jm049081q"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1517\/17460441.2015.1032936"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/ci100007w"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2017.1281762"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1039\/C4CP03179B"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21372"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/jp404160y"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/ja981844+"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00192"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23832"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1063\/1.5058172"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1002\/prot.1106"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1023\/A:1008763014207"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/ct200565u"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-011-9524-z"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/ct200244p"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/ci900497d"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.2174\/092986706779026165"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.2174\/157340906778226454"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1002\/minf.201100135"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1002\/prot.22687"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.3389\/fmolb.2016.00046"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1039\/C4CP01388C"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1021\/ci100275a"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1002\/prot.23158"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1002\/prot.24029"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(200003)21:4<295::AID-JCC5>3.0.CO;2-8"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1002\/prot.10332"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1002\/prot.23106"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20566"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1021\/ct700166f"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2013.09.005"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1002\/prot.21040"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.8b00248"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1021\/ci500080q"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1021\/ci500081m"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1016\/j.engappai.2015.06.021"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1039\/C6CP03670H"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.8b00462"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.10349"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP04096J"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20035"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.10128"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1063\/1.470117"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(77)90098-5"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1002\/bip.360251106"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1021\/j100111a046"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1021\/jp994072s"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(19990130)20:2<217::AID-JCC4>3.0.CO;2-A"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1021\/ct300418h"},{"key":"ref94\/cit94","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-018-0170-6"},{"key":"ref95\/cit95","doi-asserted-by":"publisher","DOI":"10.1007\/BF02613550"},{"key":"ref96\/cit96","doi-asserted-by":"publisher","DOI":"10.1039\/C7MD00184C"},{"key":"ref97\/cit97","doi-asserted-by":"publisher","DOI":"10.1039\/C7CP07623A"},{"key":"ref98\/cit98","doi-asserted-by":"publisher","DOI":"10.1261\/rna.065896.118"},{"key":"ref99\/cit99","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.96.22.12494"},{"key":"ref100\/cit100","doi-asserted-by":"publisher","DOI":"10.1021\/jm0608210"},{"key":"ref101\/cit101","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1997.1130"},{"key":"ref102\/cit102","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.24011"},{"key":"ref103\/cit103","doi-asserted-by":"publisher","DOI":"10.1002\/cbic.200900750"},{"key":"ref104\/cit104","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.25120"},{"key":"ref105\/cit105","doi-asserted-by":"publisher","DOI":"10.1021\/ar000033j"},{"key":"ref106\/cit106","doi-asserted-by":"publisher","DOI":"10.1021\/jm010079y"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.0c00024","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,18]],"date-time":"2023-04-18T10:41:07Z","timestamp":1681814467000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.0c00024"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,3,16]]},"references-count":106,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2020,11,23]]}},"alternative-id":["10.1021\/acs.jcim.0c00024"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.0c00024","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,3,16]]}}}