{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,8]],"date-time":"2026-01-08T04:21:31Z","timestamp":1767846091485,"version":"3.49.0"},"reference-count":46,"publisher":"American Chemical Society (ACS)","issue":"4","license":[{"start":{"date-parts":[[2022,3,1]],"date-time":"2022-03-01T00:00:00Z","timestamp":1646092800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2022,3,1]],"date-time":"2022-03-01T00:00:00Z","timestamp":1646092800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2022,3,1]],"date-time":"2022-03-01T00:00:00Z","timestamp":1646092800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100001665","name":"Agence Nationale de la Recherche","doi-asserted-by":"publisher","award":["ANR-11-LABX-0011"],"award-info":[{"award-number":["ANR-11-LABX-0011"]}],"id":[{"id":"10.13039\/501100001665","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Laboratoire International Associ? CNRS\/UIUC"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Theory Comput."],"published-print":{"date-parts":[[2022,4,12]]},"DOI":"10.1021\/acs.jctc.1c01235","type":"journal-article","created":{"date-parts":[[2022,3,1]],"date-time":"2022-03-01T16:57:51Z","timestamp":1646153871000},"page":"2494-2502","source":"Crossref","is-referenced-by-count":18,"title":["Symmetry-Adapted Restraints for Binding Free Energy Calculations"],"prefix":"10.1021","volume":"18","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-6204-5886","authenticated-orcid":true,"given":"Mina","family":"Ebrahimi","sequence":"first","affiliation":[{"name":"Department of Physical Chemistry, School of Chemistry, College of Science, University of Tehran, Tehran 1417935840, Iran"},{"name":"CNRS, Universit\u00e9 de Paris, UPR 9080, Laboratoire de Biochimie Th\u00e9orique, Paris 75005, France"},{"name":"Institut de Biologie Physico-Chimique, Fondation Edmond de Rothschild, PSL Research University, Paris 75005, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2540-4098","authenticated-orcid":true,"given":"J\u00e9r\u00f4me","family":"H\u00e9nin","sequence":"additional","affiliation":[{"name":"CNRS, Universit\u00e9 de Paris, UPR 9080, Laboratoire de Biochimie Th\u00e9orique, Paris 75005, France"},{"name":"Institut de Biologie Physico-Chimique, Fondation Edmond de Rothschild, PSL Research University, Paris 75005, France"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2022,3,1]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00116"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.pc.43.100192.002203"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/cr00023a004"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/jp102971x"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2011.01.011"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1039\/C8CP01524D"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b01143"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00165"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/S0006-3495(97)78756-3"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1002\/1522-2675(200210)85:10<3113::AID-HLCA3113>3.0.CO;2-0"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/jp0217839"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1529\/biophysj.106.084301"},{"key":"ref13\/cit13","doi-asserted-by":"crossref","unstructured":"Chipot, C.; Pohorille, A. Free Energy Calculations; Springer, 2007; pp 33\u201375.","DOI":"10.1007\/978-3-540-38448-9_2"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/jp807701h"},{"key":"ref15\/cit15","doi-asserted-by":"crossref","unstructured":"Gapsys, V.; Michielssens, S.; Peters, J. H.; de Groot, B. L.; Leonov, H. Molecular Modeling of Proteins; Springer, 2015; pp 173\u2013209.","DOI":"10.1007\/978-1-4939-1465-4_9"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-018-0166-2"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1002\/ijch.198600032"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1002\/prot.340240402"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/ct060037v"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1063\/5.0046853"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/ja963568+"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/ja0377908"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0409005102"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1063\/1.2221683"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00447"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.26078"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-020-80769-1"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2013.813594"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/jm301823g"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/S0006-3495(95)79955-6"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20110"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/jp110434s"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.25802"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-020-00455-2"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1063\/5.0014475"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1063\/1.470648"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20289"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1038\/nmeth.4067"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1063\/1.466707"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(76)90078-4"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1063\/1.2978177"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00784"},{"key":"ref46\/cit46","unstructured":"Dotson, D.; Beckstein, O.; Wille, D.; Wu, Z.; Kenney, I.; Shuail; Lee, H.; Trje3733; Lim, V.; Schlaich, A.; H\u00e9nin, J.; Barhaghi, M. S.; Joseph, T.; Hsu, W.T. alchemistry\/alchemlyb: 0.6.0, 2021. https:\/\/zenodo.org\/record\/5808327."}],"container-title":["Journal of Chemical Theory and Computation"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jctc.1c01235","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jctc.1c01235","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,25]],"date-time":"2023-04-25T10:31:15Z","timestamp":1682418675000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jctc.1c01235"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,3,1]]},"references-count":46,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2022,4,12]]}},"alternative-id":["10.1021\/acs.jctc.1c01235"],"URL":"https:\/\/doi.org\/10.1021\/acs.jctc.1c01235","relation":{},"ISSN":["1549-9618","1549-9626"],"issn-type":[{"value":"1549-9618","type":"print"},{"value":"1549-9626","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,3,1]]}}}