{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,21]],"date-time":"2026-07-21T22:38:22Z","timestamp":1784673502556,"version":"3.55.0"},"reference-count":46,"publisher":"American Chemical Society (ACS)","issue":"8","funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["81503355"],"award-info":[{"award-number":["81503355"]}],"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":["91330113"],"award-info":[{"award-number":["91330113"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002861","name":"China Three Gorges University","doi-asserted-by":"publisher","award":["KJ2014H015"],"award-info":[{"award-number":["KJ2014H015"]}],"id":[{"id":"10.13039\/501100002861","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Hubei Province (China)","award":["D20161204"],"award-info":[{"award-number":["D20161204"]}]},{"name":"Hubei Province (China)","award":["T201203"],"award-info":[{"award-number":["T201203"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2016,8,22]]},"DOI":"10.1021\/acs.jcim.6b00334","type":"journal-article","created":{"date-parts":[[2016,7,13]],"date-time":"2016-07-13T19:50:04Z","timestamp":1468439404000},"page":"1563-1575","source":"Crossref","is-referenced-by-count":50,"title":["Discovery of Covalent Ligands via Noncovalent Docking by Dissecting Covalent Docking Based on a \u201cSteric-Clashes Alleviating Receptor (SCAR)\u201d Strategy"],"prefix":"10.1021","volume":"56","author":[{"given":"Yuanbao","family":"Ai","sequence":"first","affiliation":[{"name":"Hubei\rKey Laboratory of Tumor Microenvironment and Immunotherapy, China Three Gorges University, Yichang 443002, China"},{"name":"College\rof Medical Science, China Three Gorges University, Yichang 443002, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lingling","family":"Yu","sequence":"additional","affiliation":[{"name":"Hubei\rKey Laboratory of Tumor Microenvironment and Immunotherapy, China Three Gorges University, Yichang 443002, China"},{"name":"College\rof Medical Science, China Three Gorges University, Yichang 443002, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiao","family":"Tan","sequence":"additional","affiliation":[{"name":"Hubei\rKey Laboratory of Tumor Microenvironment and Immunotherapy, China Three Gorges University, Yichang 443002, China"},{"name":"College\rof Medical Science, China Three Gorges University, Yichang 443002, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaoying","family":"Chai","sequence":"additional","affiliation":[{"name":"Hubei\rKey Laboratory of Tumor Microenvironment and Immunotherapy, China Three Gorges University, Yichang 443002, China"},{"name":"College\rof Medical Science, China Three Gorges University, Yichang 443002, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sen","family":"Liu","sequence":"additional","affiliation":[{"name":"Hubei\rKey Laboratory of Tumor Microenvironment and Immunotherapy, China Three Gorges University, Yichang 443002, China"},{"name":"College\rof Medical Science, China Three Gorges University, Yichang 443002, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2016,7,21]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1039\/C5MD00518C"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1517\/17460441.2016.1115478"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1038\/nrd3410"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.2174\/0929867311320180002"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21256"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-006-9060-4"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1002\/prot.10465"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1097-0134(19991101)37:2<228::AID-PROT8>3.0.CO;2-8"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/jm0306430"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2015.05.005"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/jm8008597"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.3390\/molecules20021984"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23136"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/ci500118s"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/ci500175r"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1038\/nchembio.1666"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/ci500681r"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1002\/pro.2733"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/jm800498e"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2013.10.003"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/jm501412a"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1038\/srep10754"},{"key":"ref23\/cit23","unstructured":"The PyMOL Molecular Graphics System, Version1.4;Schr\u00f6dinger, LLC, 2010."},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2010.05.005"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-12-381270-4.00019-6"},{"key":"ref26\/cit26","unstructured":"Landrum, G.RDKit: Open-Source Cheminformatics;http:\/\/www.rdkit.org, 2011."},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btu789"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21334"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540141112"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/ja983494x"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/jp0225774"},{"key":"ref32\/cit32","volume-title":"Polyamine Drug Discovery","author":"Casero R. A.","year":"2011","edition":"1"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/ci2004658"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/jm700930k"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/bi900590m"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1016\/j.cell.2015.05.023"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0606198104"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1114487109"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.7554\/eLife.03977"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-pharmtox-010611-134639"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1039\/c1cs15053g"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/cb1002834"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.4155\/fmc.10.21"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/jm3013932"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/jm801126a"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/bi010735w"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6b00334","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,17]],"date-time":"2023-04-17T05:26:34Z","timestamp":1681709194000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.6b00334"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2016,7,21]]},"references-count":46,"journal-issue":{"issue":"8","published-print":{"date-parts":[[2016,8,22]]}},"alternative-id":["10.1021\/acs.jcim.6b00334"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.6b00334","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2016,7,21]]}}}