{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2024,9,16]],"date-time":"2024-09-16T05:49:31Z","timestamp":1726465771607},"reference-count":47,"publisher":"American Chemical Society (ACS)","issue":"5","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2012,5,25]]},"DOI":"10.1021\/ci300040c","type":"journal-article","created":{"date-parts":[[2012,4,29]],"date-time":"2012-04-29T14:41:11Z","timestamp":1335710471000},"page":"1345-1355","source":"Crossref","is-referenced-by-count":23,"title":["Novel Inhibitor Discovery through Virtual Screening against Multiple Protein Conformations Generated via Ligand-Directed Modeling: A Maternal Embryonic Leucine Zipper Kinase Example"],"prefix":"10.1021","volume":"52","author":[{"given":"Kiran V.","family":"Mahasenan","sequence":"first","affiliation":[{"name":"Division of Medicinal Chemistry and\rPharmacognosy,\rCollege of Pharmacy, The Ohio State University, Columbus, Ohio 43210,\rUnited States"}]},{"given":"Chenglong","family":"Li","sequence":"additional","affiliation":[{"name":"Division of Medicinal Chemistry and\rPharmacognosy,\rCollege of Pharmacy, The Ohio State University, Columbus, Ohio 43210,\rUnited States"}]}],"member":"316","published-online":{"date-parts":[[2012,5,8]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"8461","DOI":"10.1021\/jm101020z","volume":"53","author":"Ripphausen P.","year":"2010","journal-title":"J. Med. Chem."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"149","DOI":"10.1002\/jmr.1077","volume":"24","author":"Yuriev E.","year":"2011","journal-title":"J. Mol. Recognit."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"527","DOI":"10.1038\/nrd1129","volume":"2","author":"Teague S. J.","year":"2003","journal-title":"Nat. Rev. Drug Discov."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"45","DOI":"10.1021\/jm030209y","volume":"47","author":"Erickson J. A.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"394","DOI":"10.1016\/j.drudis.2009.01.003","volume":"14","author":"C B. R.","year":"2009","journal-title":"Drug Discovery Today"},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"13118","DOI":"10.1073\/pnas.1104614108","volume":"108","author":"Dror R. O.","year":"2011","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"566","DOI":"10.1002\/prot.22081","volume":"73","author":"Bolstad E. S.","year":"2008","journal-title":"Proteins"},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"47","DOI":"10.1002\/bip.10218","volume":"68","author":"Lin J. H.","year":"2003","journal-title":"Biopolymers"},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"5632","DOI":"10.1021\/ja0260162","volume":"124","author":"Lin J. H.","year":"2002","journal-title":"J. Am. Chem. Soc."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1016\/j.bbapap.2005.07.041","volume":"1754","author":"McCammon J. A.","year":"2005","journal-title":"Biochim. Biophys. Acta"},{"key":"ref11\/cit11","author":"Dong Z.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"511","DOI":"10.1021\/ci900407c","volume":"50","author":"Craig I. R.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"621","DOI":"10.1007\/s10822-008-9182-y","volume":"22","author":"Rao S.","year":"2008","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"843","DOI":"10.1021\/ci100270x","volume":"51","author":"Wendt B.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"1052","DOI":"10.1016\/j.drudis.2010.10.003","volume":"15","author":"Li Q.","year":"2010","journal-title":"Drug Discovery Today"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"D255","DOI":"10.1093\/nar\/gkp965","volume":"38","author":"Wang Y.","year":"2010","journal-title":"Nucleic Acids Res."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"1205","DOI":"10.1517\/17460441.2010.524924","volume":"5","author":"Xie X. Q.","year":"2010","journal-title":"Expert. Opin. Drug Discov."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"9751","DOI":"10.1158\/0008-5472.CAN-04-4531","volume":"65","author":"Gray D.","year":"2005","journal-title":"Cancer Res."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"R17","DOI":"10.1186\/bcr1650","volume":"9","author":"Lin M. L.","year":"2007","journal-title":"Breast Cancer Res."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"807","DOI":"10.1002\/ijc.23189","volume":"122","author":"Marie S. K.","year":"2008","journal-title":"Int. J. Cancer"},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"48","DOI":"10.1002\/jnr.21471","volume":"86","author":"Nakano I.","year":"2008","journal-title":"J. Neurosci. Res."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"127","DOI":"10.1038\/nbt1358","volume":"26","author":"Karaman M. W.","year":"2008","journal-title":"Nat. Biotechnol."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"297","DOI":"10.1042\/BJ20070797","volume":"408","author":"Bain J.","year":"2007","journal-title":"Biochem. J."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"765","DOI":"10.4161\/cc.8.5.7879","volume":"8","author":"Hoang T. M.","year":"2009","journal-title":"Cell Cycle"},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"6369","DOI":"10.1021\/jm901018f","volume":"52","author":"Akue-Gedu R.","year":"2009","journal-title":"J. Med. Chem."},{"key":"ref26\/cit26","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":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"962","DOI":"10.1021\/jm049798d","volume":"48","author":"Cummings M. D.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"4759","DOI":"10.1021\/jm001044l","volume":"43","author":"Bissantz C.","year":"2000","journal-title":"J. Med. Chem."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"5856","DOI":"10.1021\/jm050040j","volume":"49","author":"Pham T. A.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"6789","DOI":"10.1021\/jm0608356","volume":"49","author":"Huang N.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"7021","DOI":"10.1021\/jm8005977","volume":"51","author":"Kirchmair J.","year":"2008","journal-title":"J. Med. Chem."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"28","DOI":"10.1038\/nrc2559","volume":"9","author":"Zhang J.","year":"2009","journal-title":"Nat. Rev. Cancer"},{"key":"ref33\/cit33","author":"Eswar N.","year":"2007","journal-title":"Curr. Protoc. Protein Sci."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"488","DOI":"10.1021\/ci600426e","volume":"47","author":"Truchon J. F.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"213","DOI":"10.1007\/s10822-007-9163-6","volume":"22","author":"Kirchmair J.","year":"2008","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref36\/cit36","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":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"10311","DOI":"10.1016\/j.bmc.2008.10.041","volume":"16","author":"Ozawa T.","year":"2008","journal-title":"Bioorg. Med. Chem."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"358","DOI":"10.1038\/nchembio799","volume":"2","author":"Liu Y.","year":"2006","journal-title":"Nat. Chem. Biol."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"14349","DOI":"10.1073\/pnas.0904214106","volume":"106","author":"Bakan A.","year":"2009","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"633","DOI":"10.1016\/j.sbi.2007.09.011","volume":"17","author":"Bahar I.","year":"2007","journal-title":"Curr. Opin. Struct. Biol."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"534","DOI":"10.1021\/jm050540c","volume":"49","author":"Sherman W.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"1965","DOI":"10.1021\/ci800081s","volume":"48","author":"Koska J.","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"1199","DOI":"10.1021\/ci200153c","volume":"51","author":"Guimaraes C. R.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"2512","DOI":"10.1021\/ci9003706","volume":"49","author":"Fan H.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1021\/ci200428t","volume":"52","author":"Xu M.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"5170","DOI":"10.1073\/pnas.1201940109","volume":"109","author":"Soderhjelm P.","year":"2012","journal-title":"Proc. Natl. Acad. Sci."},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"5144","DOI":"10.1021\/jp911085d","volume":"114","author":"Park I.-H.","year":"2010","journal-title":"J. Phys. Chem. B"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci300040c","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,17]],"date-time":"2023-04-17T13:17:15Z","timestamp":1681737435000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci300040c"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2012,5,8]]},"references-count":47,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2012,5,25]]}},"alternative-id":["10.1021\/ci300040c"],"URL":"https:\/\/doi.org\/10.1021\/ci300040c","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2012,5,8]]}}}