{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,24]],"date-time":"2026-01-24T09:45:45Z","timestamp":1769247945533,"version":"3.49.0"},"reference-count":83,"publisher":"American Chemical Society (ACS)","issue":"7","license":[{"start":{"date-parts":[[2021,6,29]],"date-time":"2021-06-29T00:00:00Z","timestamp":1624924800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2021,6,29]],"date-time":"2021-06-29T00:00:00Z","timestamp":1624924800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2021,6,29]],"date-time":"2021-06-29T00:00:00Z","timestamp":1624924800000},"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":["21606016"],"award-info":[{"award-number":["21606016"]}],"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":["21977013"],"award-info":[{"award-number":["21977013"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2021,7,26]]},"DOI":"10.1021\/acs.jcim.1c00339","type":"journal-article","created":{"date-parts":[[2021,6,29]],"date-time":"2021-06-29T17:14:43Z","timestamp":1624986883000},"page":"3571-3582","source":"Crossref","is-referenced-by-count":28,"title":["Force Field Benchmark of Amino Acids. 3. Hydration with Scaled Lennard-Jones Interactions"],"prefix":"10.1021","volume":"61","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-6341-4671","authenticated-orcid":true,"given":"Yejie","family":"Qiu","sequence":"first","affiliation":[{"name":"Department of Biological Science and Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, 100083 Beijing, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wenjie","family":"Shan","sequence":"additional","affiliation":[{"name":"Department of Biological Science and Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, 100083 Beijing, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2410-7078","authenticated-orcid":true,"given":"Haiyang","family":"Zhang","sequence":"additional","affiliation":[{"name":"Department of Biological Science and Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, 100083 Beijing, China"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2021,6,29]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1393"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-018-0111-4"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.8b00042"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00591"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00255"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1800690115"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1038\/nmeth.4067"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/ct300156h"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00356"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/ct2007814"},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"47","DOI":"10.1007\/978-1-4939-1465-4_3","volume-title":"Molecular Modeling of Proteins","author":"Lopes P. E. M.","year":"2015"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2018.02.002"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/ja5032776"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/ct501178z"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00762"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/ct500569b"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00736"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1003638"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.7b08785"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1038\/srep10549"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2017.10.008"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00059"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1039\/D0CP05818A"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c01175"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1098\/rspa.1924.0082"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/jp2118373"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00190"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.6b01059"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00967"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.6b01747"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b01136"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.8b02814"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00522"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.8b05770"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1063\/1.2121687"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/jp508971m"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/jz501780a"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1080\/00268977700100991"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1063\/1.1587119"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1063\/1.1877132"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/jp0641029"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.8b00026"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.8b00493"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1016\/j.softx.2015.06.001"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1063\/1.472061"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/ct900460m"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/jp108618d"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/ct2000183"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2012.02.024"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1063\/1.470117"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1063\/1.2408420"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1080\/00268978300102851"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1063\/1.328693"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540130805"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H"},{"key":"ref58\/cit58","unstructured":"Force Fields in GROMACS; https:\/\/manual.gromacs.org\/documentation\/2018\/user-guide\/force-fields.html (accessed March 20, 2021)."},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/bi00507a030"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/j100058a043"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/ja0350684"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-2836(84)80006-6"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/ja9812610"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/bi972979f"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1046\/j.1432-1327.2001.02127.x"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1038\/nsb0797-567"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1021\/bi00251a008"},{"key":"ref68\/cit68","volume-title":"Ambertools17","author":"Case D. A.","year":"2017"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1021\/ct300400x"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b01123"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1038\/srep15449"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.2001.5328"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1001743107"},{"key":"ref73\/cit73a","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1222231110"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0601395103"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.6b01316"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.5b00505"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1347"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1021\/j100308a038"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1063\/1.1461829"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1063\/1.1683075"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2020.08.006"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-biophys-070317-033349"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.1c00339","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,27]],"date-time":"2023-04-27T20:22:16Z","timestamp":1682626936000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.1c00339"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,6,29]]},"references-count":83,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2021,7,26]]}},"alternative-id":["10.1021\/acs.jcim.1c00339"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.1c00339","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,6,29]]}}}