{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,29]],"date-time":"2026-04-29T21:43:05Z","timestamp":1777498985894,"version":"3.51.4"},"reference-count":25,"publisher":"American Chemical Society (ACS)","issue":"7","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2014,7,28]]},"DOI":"10.1021\/ci500118s","type":"journal-article","created":{"date-parts":[[2014,6,11]],"date-time":"2014-06-11T08:23:47Z","timestamp":1402475027000},"page":"1932-1940","source":"Crossref","is-referenced-by-count":422,"title":["Docking Covalent Inhibitors: A Parameter Free Approach To Pose Prediction and Scoring"],"prefix":"10.1021","volume":"54","author":[{"given":"Kai","family":"Zhu","sequence":"first","affiliation":[{"name":"Schrodinger Inc., 120 West 45th Street, New\rYork, New York 10036, United States"}]},{"given":"Kenneth W.","family":"Borrelli","sequence":"additional","affiliation":[{"name":"Schrodinger Inc., 120 West 45th Street, New\rYork, New York 10036, United States"}]},{"given":"Jeremy R.","family":"Greenwood","sequence":"additional","affiliation":[{"name":"Schrodinger Inc., 120 West 45th Street, New\rYork, New York 10036, United States"}]},{"given":"Tyler","family":"Day","sequence":"additional","affiliation":[{"name":"Schrodinger Inc., 120 West 45th Street, New\rYork, New York 10036, United States"}]},{"given":"Robert","family":"Abel","sequence":"additional","affiliation":[{"name":"Schrodinger Inc., 120 West 45th Street, New\rYork, New York 10036, United States"}]},{"given":"Ramy S.","family":"Farid","sequence":"additional","affiliation":[{"name":"Schrodinger Inc., 120 West 45th Street, New\rYork, New York 10036, United States"}]},{"given":"Edward","family":"Harder","sequence":"additional","affiliation":[{"name":"Schrodinger Inc., 120 West 45th Street, New\rYork, New York 10036, United States"}]}],"member":"316","published-online":{"date-parts":[[2014,6,26]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"307","DOI":"10.1038\/nrd3410","volume":"10","author":"Singh J.","year":"2011","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ref2\/cit2","first-page":"3","volume":"6","author":"Lin C.","year":"2006","journal-title":"Infect. Disord.: Drug Targets"},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"50","DOI":"10.1021\/ar700109k","volume":"41","author":"Njoroge F. G.","year":"2008","journal-title":"Acc. Chem. Res."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"13075","DOI":"10.1073\/pnas.1004594107","volume":"107","author":"Honigberg L. A.","year":"2010","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"3406","DOI":"10.1016\/j.bmcl.2007.03.090","volume":"17","author":"Perni R. B.","year":"2007","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"6177","DOI":"10.1021\/jm051256o","volume":"49","author":"Friesner R. A.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"195","DOI":"10.1002\/prot.340080302","volume":"8","author":"Goodsell D. S.","year":"2009","journal-title":"Proteins"},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"727","DOI":"10.1006\/jmbi.1996.0897","volume":"267","author":"Jones G.","year":"1997","journal-title":"J. Mol. Biol."},{"key":"ref9\/cit9","first-page":"2785","volume":"30","author":"Morris G. M.","year":"2009","journal-title":"Software News and Updates AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility"},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"326","DOI":"10.1002\/jcc.23136","volume":"34","author":"Ouyang X.","year":"2013","journal-title":"J. Comput. Chem."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"1739","DOI":"10.1021\/jm0306430","volume":"47","author":"Friesner R. A.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"1750","DOI":"10.1021\/jm030644s","volume":"47","author":"Halgren T. A.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"351","DOI":"10.1002\/prot.10613","volume":"55","author":"Jacobson M. P.","year":"2004","journal-title":"Proteins"},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"597","DOI":"10.1016\/S0022-2836(02)00470-9","volume":"320","author":"Jacobson M. P.","year":"2002","journal-title":"J. Mol. Biol."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"438","DOI":"10.1002\/prot.21040","volume":"65","author":"Zhu K.","year":"2006","journal-title":"Proteins"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"2108","DOI":"10.1021\/ct700166f","volume":"3","author":"Zhu K.","year":"2007","journal-title":"J. Chem. Theory Comput."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"2920","DOI":"10.1002\/prot.23129","volume":"79","author":"Zhao S.","year":"2011","journal-title":"Proteins"},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"2794","DOI":"10.1002\/prot.23106","volume":"79","author":"Li J.","year":"2011","journal-title":"Proteins"},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"534","DOI":"10.1021\/ci100015j","volume":"50","author":"Watts K. S.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1007\/s10822-013-9644-8","volume":"27","author":"Sastry G. M.","year":"2013","journal-title":"J. Comput.-Aided. Mol. Des."},{"key":"ref21\/cit21","unstructured":"Schrodinger, Inc.: Maestro v9.5, 2013."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"681","DOI":"10.1007\/s10822-007-9133-z","volume":"21","author":"Shelley J. C.","year":"2007","journal-title":"J. Comput.-Aided. Mol. Des."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"591","DOI":"10.1007\/s10822-010-9349-1","volume":"24","author":"Greenwood J. R.","year":"2010","journal-title":"J. Comput.-Aided. Mol. Des."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1038\/nchembio866","volume":"3","author":"Blair J. A.","year":"2007","journal-title":"Nat. Chem. Biol."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"705","DOI":"10.1016\/S0960-894X(01)00843-5","volume":"12","author":"Colarusso S.","year":"2002","journal-title":"Bioorg. Med. Chem. Lett."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci500118s","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,17]],"date-time":"2023-04-17T20:20:31Z","timestamp":1681762831000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci500118s"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2014,6,26]]},"references-count":25,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2014,7,28]]}},"alternative-id":["10.1021\/ci500118s"],"URL":"https:\/\/doi.org\/10.1021\/ci500118s","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2014,6,26]]}}}