{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,24]],"date-time":"2026-03-24T02:37:57Z","timestamp":1774319877072,"version":"3.50.1"},"reference-count":48,"publisher":"American Chemical Society (ACS)","issue":"4","license":[{"start":{"date-parts":[[2022,2,7]],"date-time":"2022-02-07T00:00:00Z","timestamp":1644192000000},"content-version":"unspecified","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"funder":[{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["R01GM132353"],"award-info":[{"award-number":["R01GM132353"]}],"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":[[2022,2,28]]},"DOI":"10.1021\/acs.jcim.1c01461","type":"journal-article","created":{"date-parts":[[2022,2,7]],"date-time":"2022-02-07T09:11:42Z","timestamp":1644225102000},"page":"753-760","source":"Crossref","is-referenced-by-count":32,"title":["BINANA 2: Characterizing Receptor\/Ligand Interactions in Python and JavaScript"],"prefix":"10.1021","volume":"62","author":[{"given":"Jade","family":"Young","sequence":"first","affiliation":[{"name":"Department of Biological Sciences, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States"}]},{"given":"Neerja","family":"Garikipati","sequence":"additional","affiliation":[{"name":"Department of Biological Sciences, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5808-4097","authenticated-orcid":true,"given":"Jacob D.","family":"Durrant","sequence":"additional","affiliation":[{"name":"Department of Biological Sciences, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States"}]}],"member":"316","published-online":{"date-parts":[[2022,2,7]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref2\/cit2","unstructured":"DeLano, W. L. Pymol: An Open-Source Molecular Graphics Tool. In\n                      CCP4 Newsletter on Protein Crystallography\n                      ; CCP4, 2002, Vol. 40, pp 82\u201392."},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20084"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2011.01.004"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.8b03308"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1080\/14756366.2019.1571271"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/ci2003889"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1128\/AEM.03916-15"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1080\/14756366.2019.1651723"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1007\/s42452-019-1051-x"},{"key":"ref11\/cit11","doi-asserted-by":"crossref","unstructured":"Hassan, M.; Mogollon, D. C.; Fuentes, O. Dlscore: A Deep Learning Model for Predicting Protein-Ligand Binding Affinities.\n                      ChemRxiv Preprint\n                      , 2018.","DOI":"10.26434\/chemrxiv.6159143"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2011.07.008"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00500"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1007\/s10847-019-00880-3"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1039\/C7SC02664A"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-015-0078-2"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/0040-4020(80)80168-2"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.5b07090"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-3-33"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1002\/pro.3330"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-4-17"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-019-0358-3"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btaa579"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.1c00103"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btu829"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkw1000"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1126\/science.aaw5188"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1038\/nrd.2017.178"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1124\/jpet.105.094383"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1124\/mol.114.091751"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkm216"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1107\/S0907444909042073"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1099\/mic.0.29024-0"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1042\/BJ20140631"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21720"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkm276"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkh381"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21256"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/cc800184v"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/cc800185z"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/cc800183m"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/ed500135n"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21334"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2016.12.004"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkv315"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1109\/TCBB.2019.2892099"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bty021"},{"key":"ref48\/cit48","unstructured":"Betz, R. Eigenstate\/Vmd-Python: Installable VMD as a Python Module.\n                      GitHub\n                      . https:\/\/github.com\/Eigenstate\/vmd-python (accessed November 23, 2021)."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.1c01461","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.1c01461","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,26]],"date-time":"2023-04-26T16:08:01Z","timestamp":1682525281000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.1c01461"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,2,7]]},"references-count":48,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2022,2,28]]}},"alternative-id":["10.1021\/acs.jcim.1c01461"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.1c01461","relation":{"has-preprint":[{"id-type":"doi","id":"10.1101\/2021.09.10.459812","asserted-by":"object"}]},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,2,7]]}}}