{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,19]],"date-time":"2025-10-19T15:32:28Z","timestamp":1760887948904},"reference-count":42,"publisher":"American Chemical Society (ACS)","issue":"6","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2006,11,1]]},"DOI":"10.1021\/ci600186b","type":"journal-article","created":{"date-parts":[[2006,10,10]],"date-time":"2006-10-10T10:30:09Z","timestamp":1160476209000},"page":"2552-2562","source":"Crossref","is-referenced-by-count":30,"title":["Prediction of Multiple Binding Modes of the CDK2 Inhibitors, Anilinopyrazoles, Using the Automated Docking Programs GOLD, FlexX, and LigandFit:\u2009 An Evaluation of Performance"],"prefix":"10.1021","volume":"46","author":[{"given":"Hideyuki","family":"Sato","sequence":"first","affiliation":[{"name":"Chemistry Department, Tsukuba Research Laboratories, GlaxoSmithKline K.K., 43 Wadai, Tsukuba, Ibaraki 300-4247, Japan, and Computational, Structural and Analytical Sciences, GlaxoSmithKline Inc., Five Moore Drive, Research Triangle Park, North Carolina 27709"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lisa M.","family":"Shewchuk","sequence":"additional","affiliation":[{"name":"Chemistry Department, Tsukuba Research Laboratories, GlaxoSmithKline K.K., 43 Wadai, Tsukuba, Ibaraki 300-4247, Japan, and Computational, Structural and Analytical Sciences, GlaxoSmithKline Inc., Five Moore Drive, Research Triangle Park, North Carolina 27709"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jun","family":"Tang","sequence":"additional","affiliation":[{"name":"Chemistry Department, Tsukuba Research Laboratories, GlaxoSmithKline K.K., 43 Wadai, Tsukuba, Ibaraki 300-4247, Japan, and Computational, Structural and Analytical Sciences, GlaxoSmithKline Inc., Five Moore Drive, Research Triangle Park, North Carolina 27709"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2006,10,10]]},"reference":[{"key":"ci600186bb00001\/ci600186bb00001_1","doi-asserted-by":"crossref","first-page":"477","DOI":"10.1021\/ci050397w","volume":"46","author":"Wilton D. J.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ci600186bb00002\/ci600186bb00002_1","doi-asserted-by":"crossref","first-page":"470","DOI":"10.1021\/ci050348j","volume":"46","author":"Hert J.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ci600186bb00003\/ci600186bb00003_1","doi-asserted-by":"crossref","first-page":"1202","DOI":"10.2174\/1381612053507549","volume":"11","author":"Stahura F. L.","year":"2005","journal-title":"Curr. Pharm. Des."},{"key":"ci600186bb00004\/ci600186bb00004_1","doi-asserted-by":"crossref","first-page":"1809","DOI":"10.1021\/ci0498968","volume":"44","author":"Deanda F.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ci600186bb00005\/ci600186bb00005_1","doi-asserted-by":"crossref","first-page":"379","DOI":"10.1021\/ci050238c","volume":"46","author":"Kairys V.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ci600186bb00006\/ci600186bb00006_1","doi-asserted-by":"crossref","first-page":"1023","DOI":"10.1021\/ci050089y","volume":"45","author":"Maiorov V.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ci600186bb00007\/ci600186bb00007_1","doi-asserted-by":"crossref","first-page":"738","DOI":"10.1021\/ci049676u","volume":"45","author":"Aparna V.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ci600186bb00008\/ci600186bb00008_1","doi-asserted-by":"crossref","first-page":"2281","DOI":"10.1021\/jm048962u","volume":"48","author":"Forino M.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ci600186bb00009\/ci600186bb00009_1","doi-asserted-by":"crossref","first-page":"976","DOI":"10.1021\/jm049798d","volume":"48","author":"Cummings M. D.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ci600186bb00010\/ci600186bb00010_1","doi-asserted-by":"crossref","first-page":"1934","DOI":"10.1126\/science.1075762","volume":"298","author":"Manning G.","year":"2002","journal-title":"Science"},{"key":"ci600186bb00011\/ci600186bb00011_1","doi-asserted-by":"crossref","first-page":"250","DOI":"10.1016\/S0163-7258(98)00045-X","volume":"82","author":"Woodburn J. R","year":"1999","journal-title":"Pharmacol. Ther."},{"key":"ci600186bb00012\/ci600186bb00012_1","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1146\/annurev.cellbio.13.1.261","volume":"13","author":"Morgan D. O.","year":"1997","journal-title":"Annu. Rev. Cell Dev. Biol."},{"key":"ci600186bb00013\/ci600186bb00013_1","doi-asserted-by":"crossref","first-page":"111","DOI":"10.1016\/S0959-437X(99)80015-X","volume":"9","author":"Garrett M. D.","year":"1999","journal-title":"Curr. Opin. Genet. Dev."},{"key":"ci600186bb00014\/ci600186bb00014_1","doi-asserted-by":"crossref","first-page":"284","DOI":"10.1016\/S0163-7258(98)00057-6","volume":"82","author":"Meijer L.","year":"1999","journal-title":"Pharmacol. Ther."},{"key":"ci600186bb00015\/ci600186bb00015_1","doi-asserted-by":"crossref","first-page":"887","DOI":"10.1517\/13543784.7.6.865","volume":"7","author":"Webster K. R","year":"1998","journal-title":"Expert Opin. Invest. Drugs"},{"key":"ci600186bb00016\/ci600186bb00016_1","first-page":"4329","volume":"96","author":"Chen Y. N.","year":"1999","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ci600186bb00017\/ci600186bb00017_1","doi-asserted-by":"crossref","first-page":"197","DOI":"10.1016\/0968-0004(93)90185-P","volume":"18","author":"Pines J","year":"1993","journal-title":"Trends Biochem. Sci."},{"key":"ci600186bb00018\/ci600186bb00018_1","doi-asserted-by":"crossref","first-page":"316","DOI":"10.1136\/mp.51.6.310","volume":"51","author":"Gillett C. E.","year":"1998","journal-title":"Mol. Pathol."},{"key":"ci600186bb00019\/ci600186bb00019_1","doi-asserted-by":"crossref","first-page":"4616","DOI":"10.1021\/jm000271k","volume":"43","author":"Barvian M.","year":"2000","journal-title":"J. Med. Chem."},{"key":"ci600186bb00020\/ci600186bb00020_1","doi-asserted-by":"crossref","first-page":"4358","DOI":"10.1021\/jm010117d","volume":"44","author":"Bramson H. N.","year":"2001","journal-title":"J. Med. Chem."},{"key":"ci600186bb00021\/ci600186bb00021_1","first-page":"66","volume":"15","author":"Gussio R.","year":"2000","journal-title":"Anticancer Drug Des."},{"key":"ci600186bb00022\/ci600186bb00022_1","doi-asserted-by":"crossref","first-page":"138","DOI":"10.1021\/jm990401t","volume":"43","author":"Shewchuk L.","year":"2000","journal-title":"J. Med. Chem."},{"key":"ci600186bb00023\/ci600186bb00023_1","first-page":"2988","volume":"13","author":"Tang J.","year":"2003","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ci600186bb00024\/ci600186bb00024_1","doi-asserted-by":"crossref","first-page":"716","DOI":"10.1021\/ci0503614","volume":"46","author":"Rella M.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ci600186bb00025\/ci600186bb00025_1","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1002\/jcc.540040211","volume":"4","author":"Brooks B. R.","year":"1983","journal-title":"J. Comput. Chem."},{"key":"ci600186bb00028\/ci600186bb00028_1","first-page":"256","volume":"8","author":"Bohm H. J","year":"1994","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci600186bb00029\/ci600186bb00029_1","doi-asserted-by":"crossref","first-page":"241","DOI":"10.1002\/(SICI)1097-0134(19991101)37:2<228::AID-PROT8>3.0.CO;2-8","volume":"37","author":"Kramer B.","year":"1999","journal-title":"Proteins"},{"key":"ci600186bb00030\/ci600186bb00030_1","doi-asserted-by":"crossref","first-page":"489","DOI":"10.1006\/jmbi.1996.0477","volume":"261","author":"Rarey M.","year":"1996","journal-title":"J. Mol. Biol."},{"key":"ci600186bb00032\/ci600186bb00032_1","doi-asserted-by":"crossref","first-page":"549","DOI":"10.1007\/BF00124324","volume":"9","author":"Jones G.","year":"1995","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci600186bb00033\/ci600186bb00033_1","first-page":"53","volume":"245","author":"Jones G.","year":"1995","journal-title":"J. Mol. Biol."},{"key":"ci600186bb00034\/ci600186bb00034_1","doi-asserted-by":"crossref","first-page":"748","DOI":"10.1006\/jmbi.1996.0897","volume":"267","author":"Jones G.","year":"1997","journal-title":"J. Mol. Biol."},{"key":"ci600186bb00035\/ci600186bb00035_1","doi-asserted-by":"crossref","first-page":"307","DOI":"10.1016\/S1093-3263(02)00164-X","volume":"21","author":"Venkatachalam C. M.","year":"2003","journal-title":"J. Mol. Graphics Modell."},{"key":"ci600186bb00036\/ci600186bb00036_1","doi-asserted-by":"crossref","first-page":"324","DOI":"10.1016\/1074-5521(95)90050-0","volume":"2","author":"Gehlhaar D. K.","year":"1995","journal-title":"Chem. Biol."},{"key":"ci600186bb00037\/ci600186bb00037_1","doi-asserted-by":"crossref","unstructured":"Gehlhaar, D. K.; Bouzida, D.; Rejto, P. A.Rational Drug Design:\u2009 NovelMethodology and Practical Applications; Parrill, L., Reddy, M. R., Eds.; American Chemical Society:\u2009 Washington, DC, 1999; pp 292\u2212311.","DOI":"10.1021\/bk-1999-0719.ch019"},{"key":"ci600186bb00038\/ci600186bb00038_1","first-page":"8909","volume":"94","author":"Mayo S. L.","year":"1990","journal-title":"J. Phys. Chem."},{"key":"ci600186bb00039\/ci600186bb00039_1","doi-asserted-by":"crossref","first-page":"5151","DOI":"10.1021\/ja00196a021","volume":"111","author":"Dinur U.","year":"1989","journal-title":"J. Am. Chem. Soc."},{"key":"ci600186bb00040\/ci600186bb00040_1","first-page":"524","volume":"13","author":"Meng E. C.","year":"1992","journal-title":"J. Comput. Chem."},{"key":"ci600186bb00041\/ci600186bb00041_1","first-page":"252","volume":"7","author":"Weiner S. J.","year":"2005","journal-title":"J. Comput. Chem."},{"key":"ci600186bb00042\/ci600186bb00042_1","doi-asserted-by":"crossref","first-page":"445","DOI":"10.1023\/A:1007996124545","volume":"11","author":"Eldridge M. D.","year":"1997","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ci600186bb00043\/ci600186bb00043_1","first-page":"804","volume":"42","author":"Muegge I.","year":"1999","journal-title":"J. Med. Chem."},{"key":"ci600186bb00044\/ci600186bb00044_1","doi-asserted-by":"crossref","first-page":"407","DOI":"10.1016\/j.jmgm.2004.11.007","volume":"23","author":"Krammer A.","year":"2005","journal-title":"J. Mol. Graphics Modell."},{"key":"ci600186bb00045\/ci600186bb00045_1","first-page":"440","volume":"10","author":"Jain A. N","year":"1996","journal-title":"J. Comput.-Aided Mol. Des."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci600186b","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,15]],"date-time":"2023-03-15T05:49:50Z","timestamp":1678859390000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci600186b"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2006,10,10]]},"references-count":42,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2006,11,1]]}},"alternative-id":["10.1021\/ci600186b"],"URL":"https:\/\/doi.org\/10.1021\/ci600186b","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2006,10,10]]}}}