{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,30]],"date-time":"2026-04-30T22:50:20Z","timestamp":1777589420196,"version":"3.51.4"},"reference-count":53,"publisher":"American Chemical Society (ACS)","issue":"1","funder":[{"DOI":"10.13039\/501100002338","name":"Ministry of Education of the People's Republic of China","doi-asserted-by":"publisher","award":["106112017CDJQJ238816"],"award-info":[{"award-number":["106112017CDJQJ238816"]}],"id":[{"id":"10.13039\/501100002338","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2019,1,28]]},"DOI":"10.1021\/acs.jcim.8b00567","type":"journal-article","created":{"date-parts":[[2018,11,13]],"date-time":"2018-11-13T17:22:13Z","timestamp":1542129733000},"page":"159-169","source":"Crossref","is-referenced-by-count":15,"title":["SMD-Based Interaction-Energy Fingerprints Can Predict Accurately the Dissociation Rate Constants of HIV-1 Protease Inhibitors"],"prefix":"10.1021","volume":"59","author":[{"given":"Shuheng","family":"Huang","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Duo","family":"Zhang","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5010-2978","authenticated-orcid":true,"given":"Hu","family":"Mei","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"MuliadiYeremia","family":"Kevin","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sujun","family":"Qu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Xianchao","family":"Pan","sequence":"additional","affiliation":[{"name":"Department of Medicinal Chemistry, College of Pharmacy, Southwest Medical University, Luzhou, Sichuan 646000, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Laichun","family":"Lu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2018,11,13]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.85.13.4686"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1998.2090"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/S0167-4838(99)00272-1"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1111\/tra.12013"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0508452103"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1038\/nsb0495-334"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.biophys.27.1.249"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijantimicag.2008.10.010"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1038\/nrd2082"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.271.52.33231"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1016\/S0166-3542(03)00002-0"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/bi00167a013"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/bm801376v"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1002\/jcph.298"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0119099"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.bios.2012.08.049"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.18097\/pbmc20125801043"},{"key":"ref18\/cit18","volume-title":"Comprehensive Summaries of Uppsala Dissertations from the Faculty of Pharmacy","volume":"263","author":"Schaal W.","year":"2002"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.6b00326"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1039\/C6MD00581K"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0019268"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1103547108"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00075"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00230"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1038\/srep11539"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.6b00632"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.8b00261"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/jm400802b"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1007\/s008940050065"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/ci4003574"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/ja100259r"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/jm0499110"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/ja00102a057"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1529\/biophysj.104.046110"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1126\/science.8278812"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540100804"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/S0959-440X(02)00308-1"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1038\/nsb0902-646"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1142\/S0129183199000176"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20289"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/jp973084f"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(77)90098-5"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/S0006-3495(97)78804-0"},{"key":"ref45\/cit45","first-page":"A177","volume":"74","author":"Izrailev S.","year":"1998","journal-title":"Biophys. J."},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/bi700864p"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1529\/biophysj.106.100560"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1016\/0003-2670(86)80028-9"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1016\/S0169-7439(01)00155-1"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1007\/s10409-012-0112-9"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/cb4008875"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/jp502687q"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.00574-10"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.8b00567","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,18]],"date-time":"2023-04-18T07:21:24Z","timestamp":1681802484000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.8b00567"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2018,11,13]]},"references-count":53,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2019,1,28]]}},"alternative-id":["10.1021\/acs.jcim.8b00567"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.8b00567","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2018,11,13]]}}}