{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T18:40:53Z","timestamp":1782931253893,"version":"3.54.5"},"reference-count":50,"publisher":"American Chemical Society (ACS)","issue":"10","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2011,10,24]]},"DOI":"10.1021\/ci2001549","type":"journal-article","created":{"date-parts":[[2011,7,21]],"date-time":"2011-07-21T10:43:57Z","timestamp":1311245037000},"page":"2650-2665","source":"Crossref","is-referenced-by-count":82,"title":["DEKOIS: Demanding Evaluation Kits for Objective <i>in Silico<\/i> Screening \u2014 A Versatile Tool for Benchmarking Docking Programs and Scoring Functions"],"prefix":"10.1021","volume":"51","author":[{"given":"Simon M.","family":"Vogel","sequence":"first","affiliation":[{"name":"Laboratory for Molecular Design and Pharmaceutical Biophysics, Department of Pharmaceutical and Medicinal Chemistry, Institute of Pharmacy, Eberhard Karls University Tuebingen, Auf der Morgenstelle 8, 72076 Tuebingen, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Matthias R.","family":"Bauer","sequence":"additional","affiliation":[{"name":"Laboratory for Molecular Design and Pharmaceutical Biophysics, Department of Pharmaceutical and Medicinal Chemistry, Institute of Pharmacy, Eberhard Karls University Tuebingen, Auf der Morgenstelle 8, 72076 Tuebingen, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Frank M.","family":"Boeckler","sequence":"additional","affiliation":[{"name":"Laboratory for Molecular Design and Pharmaceutical Biophysics, Department of Pharmaceutical and Medicinal Chemistry, Institute of Pharmacy, Eberhard Karls University Tuebingen, Auf der Morgenstelle 8, 72076 Tuebingen, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2011,8,18]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"273","DOI":"10.1038\/nrd3139","volume":"9","author":"Schneider G.","year":"2010","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"841","DOI":"10.1517\/17460441.3.8.841","volume":"3","author":"Clark D. E.","year":"2008","journal-title":"Expert Opin. Drug Discovery"},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"580","DOI":"10.1016\/j.drudis.2006.05.012","volume":"11","author":"Klebe G.","year":"2006","journal-title":"Drug Discovery Today"},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"862","DOI":"10.1038\/nature03197","volume":"432","author":"Shoichet B. K.","year":"2004","journal-title":"Nature"},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"2644","DOI":"10.1002\/1521-3773(20020802)41:15<2644::AID-ANIE2644>3.0.CO;2-O","volume":"41","author":"Gohlke H.","year":"2002","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"935","DOI":"10.1038\/nrd1549","volume":"3","author":"Kitchen D. B.","year":"2004","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"10360","DOI":"10.1073\/pnas.0805326105","volume":"105","author":"Boeckler F. M.","year":"2008","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"8461","DOI":"10.1021\/jm101020z","volume":"53","author":"Ripphausen P.","year":"2010","journal-title":"J. Med. Chem."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"727","DOI":"10.1038\/nrd892","volume":"1","author":"Hopkins A. L.","year":"2002","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"855","DOI":"10.1038\/nature03193","volume":"432","author":"Lipinski C.","year":"2004","journal-title":"Nature"},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"269","DOI":"10.1016\/0022-2836(82)90153-X","volume":"161","author":"Kuntz I. D.","year":"1982","journal-title":"J. Mol. Biol."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"S7","DOI":"10.1038\/sj.bjp.0707515","volume":"153","author":"Moitessier N.","year":"2008","journal-title":"Br. J. Pharmacol."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"3032","DOI":"10.1021\/jm030489h","volume":"47","author":"Ferrara P.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"201","DOI":"10.1007\/s10822-007-9151-x","volume":"22","author":"Jain A.","year":"2008","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"133","DOI":"10.1007\/s10822-008-9196-5","volume":"22","author":"Jain A.","year":"2008","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"147","DOI":"10.1007\/s10822-007-9150-y","volume":"22","author":"Cleves A.","year":"2008","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"169","DOI":"10.1007\/s10822-007-9167-2","volume":"22","author":"Good A.","year":"2008","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"179","DOI":"10.1007\/s10822-007-9166-3","volume":"22","author":"Hawkins P.","year":"2008","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref19\/cit19","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":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1007\/s10822-008-9169-8","volume":"22","author":"Liebeschuetz J.","year":"2008","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref21\/cit21","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":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"494","DOI":"10.1016\/j.cbpa.2007.08.033","volume":"11","author":"McInnes C.","year":"2007","journal-title":"Curr. Opin. Chem. Biol."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"1035","DOI":"10.1021\/jm0003992","volume":"44","author":"Stahl M.","year":"2001","journal-title":"J. Med. Chem."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"793","DOI":"10.1021\/ci034289q","volume":"44","author":"Verdonk M. L.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"267","DOI":"10.1021\/ci020055f","volume":"43","author":"Pan Y.","year":"2002","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"239","DOI":"10.1007\/s10822-008-9170-2","volume":"22","author":"Nicholls A.","year":"2008","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"169","DOI":"10.1021\/ci8002649","volume":"49","author":"Rohrer S. G.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"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":"2005","journal-title":"J. Med. Chem."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"2895","DOI":"10.1021\/jm0300330","volume":"46","author":"McGovern S. L.","year":"2003","journal-title":"J. Med. Chem."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"1504","DOI":"10.1021\/ci700052x","volume":"47","author":"McGaughey G. B.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"704","DOI":"10.1021\/ci700099u","volume":"48","author":"Rohrer S. G.","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"2168","DOI":"10.1021\/ci900249b","volume":"49","author":"Tiikkainen P.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref34\/cit34","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":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"196","DOI":"10.1021\/ci100374f","volume":"51","author":"Wallach I.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"6789","DOI":"10.1021\/jm0608356","volume":"49","author":"Huang N.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"529","DOI":"10.1007\/s10822-004-4067-1","volume":"18","author":"Good A. C.","year":"2004","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"110","DOI":"10.1021\/ci6003493","volume":"47","author":"Good A. C.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"141","DOI":"10.1007\/s10822-008-9181-z","volume":"22","author":"Clark R.","year":"2008","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1021\/ci049714+","volume":"45","author":"Irwin J. J.","year":"2004","journal-title":"J. Chem. Inf. Model."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"D198","DOI":"10.1093\/nar\/gkl999","volume":"35","author":"Liu T.","year":"2007","journal-title":"Nucleic Acids Res."},{"key":"ref42\/cit42","unstructured":"Molecular Operating Environment (MOE), version 2009.10; Chemical Computing Group Inc.:Montreal, Canada, 2009."},{"key":"ref43\/cit43","unstructured":"DUD:Errata - DISI.http:\/\/wiki.bkslab.org\/index.php\/DUD:Errata(accessed Dec 01, 2011) ."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1093\/nar\/28.1.235","volume":"28","author":"Berman H. M.","year":"2000","journal-title":"Nucleic Acids Res."},{"key":"ref45\/cit45","unstructured":"GOLD, version 3.2;The Cambridge Crystallographic Data Centre (CCDC):Cambridge, UK, 2008."},{"key":"ref46\/cit46","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":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"425","DOI":"10.1023\/A:1007996124545","volume":"11","author":"Eldridge M. D.","year":"1997","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"1535","DOI":"10.1021\/ci800420z","volume":"49","author":"ten Brink T.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"503","DOI":"10.1023\/A:1008040323669","volume":"12","author":"Murray C. W.","year":"1998","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"193","DOI":"10.1007\/s10822-008-9189-4","volume":"22","author":"Irwin J.","year":"2008","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\/ci2001549","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,24]],"date-time":"2023-04-24T04:30:30Z","timestamp":1682310630000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci2001549"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2011,8,18]]},"references-count":50,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2011,10,24]]}},"alternative-id":["10.1021\/ci2001549"],"URL":"https:\/\/doi.org\/10.1021\/ci2001549","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2011,8,18]]}}}