{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,5]],"date-time":"2026-06-05T20:02:49Z","timestamp":1780689769553,"version":"3.54.1"},"reference-count":40,"publisher":"American Chemical Society (ACS)","issue":"4","license":[{"start":{"date-parts":[[1999,1,1]],"date-time":"1999-01-01T00:00:00Z","timestamp":915148800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/pubs.acs.org\/page\/policy\/authorchoice_termsofuse.html"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2010,4,26]]},"DOI":"10.1021\/ci100031x","type":"journal-article","created":{"date-parts":[[2010,3,17]],"date-time":"2010-03-17T19:13:35Z","timestamp":1268853215000},"page":"572-584","source":"Crossref","is-referenced-by-count":1496,"title":["Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database"],"prefix":"10.1021","volume":"50","author":[{"given":"Paul C. D.","family":"Hawkins","sequence":"first","affiliation":[{"name":"OpenEye Scientific Software, 9 Bisbee Court, Suite D, Santa Fe, New Mexico 87508"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"A. Geoffrey","family":"Skillman","sequence":"additional","affiliation":[{"name":"OpenEye Scientific Software, 9 Bisbee Court, Suite D, Santa Fe, New Mexico 87508"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gregory L.","family":"Warren","sequence":"additional","affiliation":[{"name":"OpenEye Scientific Software, 9 Bisbee Court, Suite D, Santa Fe, New Mexico 87508"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Benjamin A.","family":"Ellingson","sequence":"additional","affiliation":[{"name":"OpenEye Scientific Software, 9 Bisbee Court, Suite D, Santa Fe, New Mexico 87508"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Matthew T.","family":"Stahl","sequence":"additional","affiliation":[{"name":"OpenEye Scientific Software, 9 Bisbee Court, Suite D, Santa Fe, New Mexico 87508"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2010,3,17]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"1193","DOI":"10.1002\/jcc.540111012","volume":"11","author":"Leach A. R.","year":"1990","journal-title":"J. Comput. Chem."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"565","DOI":"10.1007\/BF00123666","volume":"8","author":"Kearsley S. K.","year":"1994","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"10","DOI":"10.1002\/jcc.10175","volume":"24","author":"Smellie A.","year":"2003","journal-title":"J. Comput. Chem."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"W568","DOI":"10.1093\/nar\/gkm289","volume":"35","author":"Bohme-Leite T.","year":"2007","journal-title":"Nucleic Acids Res."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"2462","DOI":"10.1021\/ci6005646","volume":"47","author":"Vainio M. J.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"1923","DOI":"10.1021\/ci700136x","volume":"47","author":"Li J.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"241","DOI":"10.1023\/A:1008209806860","volume":"11","author":"Gippert G. P.","year":"1998","journal-title":"J. Biomol. NMR"},{"key":"ref8\/cit8","unstructured":"Pearlman, R. S.; Balducci, R.Confort: A Novel Algorithm For Conformational Analysis.National Meeting of the American Chemical Society, New Orleans, 1998."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"461","DOI":"10.1021\/ci049731z","volume":"45","author":"Kristam R.","year":"2005","journal-title":"J. Chem. Inf. Model."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"1067","DOI":"10.1021\/ci6005454","volume":"47","author":"Agrafiotis A. K.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"449","DOI":"10.1016\/S1093-3263(02)00204-8","volume":"21","author":"Bostrom J.","year":"2003","journal-title":"J. Mol. Graphics Modell."},{"key":"ref12\/cit12","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":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"2305","DOI":"10.1021\/ci060042s","volume":"46","author":"Sadowski J.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"2242","DOI":"10.1021\/ci700189s","volume":"46","author":"Hao M. H.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"678","DOI":"10.1006\/jmbi.1997.0994","volume":"268","author":"Abagyan R. A.","year":"1997","journal-title":"J. Mol. Biol."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"4111","DOI":"10.1021\/jm048957q","volume":"48","author":"Wang R.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"1848","DOI":"10.1021\/ci060084g","volume":"46","author":"Kirchmair J.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1021\/ci7002494","volume":"48","author":"Brameld K. A.","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"490","DOI":"10.1002\/(SICI)1096-987X(199604)17:5\/6<490::AID-JCC1>3.0.CO;2-P","volume":"17","author":"Halgren T. A.","year":"1996","journal-title":"J. Comput. Chem."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"726","DOI":"10.1021\/jm061277y","volume":"50","author":"Hartshorn M. J.","year":"2007","journal-title":"J. Med. Chem."},{"key":"ref21\/cit21","first-page":"249","volume":"56","author":"Kleywegt G. J.","year":"2000","journal-title":"Acta Crystallogr."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"179","DOI":"10.1007\/s10822-007-9166-3","volume":"22","author":"Hawkins P. C. D.","year":"2008","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"472","DOI":"10.1038\/355472a0","volume":"355","author":"Br\u00fcnger A. T.","year":"1992","journal-title":"Nature"},{"key":"ref24\/cit24","unstructured":"Kleywegt, G.Practical Model Validation:http:\/\/xray.bmc.uu.se\/gerard\/embo2001\/modval\/03.html,accessed 16 January 2010."},{"key":"ref25\/cit25","first-page":"583","volume":"55","author":"Cruickshank D. W.","year":"1999","journal-title":"Acta Crystallogr."},{"key":"ref26\/cit26","first-page":"792","volume":"58","author":"Blow D. M.","year":"2002","journal-title":"Acta Crystallogr."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"6804","DOI":"10.1021\/jm0493818","volume":"47","author":"Goto J.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref28\/cit28","first-page":"240","volume":"53","author":"Murshudov G. N.","year":"1997","journal-title":"Acta Crystallogr."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"110","DOI":"10.1107\/S0108767390010224","volume":"47","author":"Jones T. A.","year":"1991","journal-title":"Acta Crystallogr."},{"key":"ref30\/cit30","unstructured":"The Electron Density Server:http:\/\/eds.bmc.uu.se\/eds\/,accessed 16 January 2010."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"1912","DOI":"10.1021\/ci6002152","volume":"46","author":"Grant A. J.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref32\/cit32","unstructured":"CSD: The Cambridge Structural Database. Version 5.1."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"2499","DOI":"10.1021\/jm030563w","volume":"47","author":"Perola E.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"1773","DOI":"10.1021\/ci800130k","volume":"48","author":"Chen I.-J.","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"754","DOI":"10.1021\/ci000464g","volume":"41","author":"Feuston B. P.","year":"2001","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","unstructured":"Bostrom, J.Exploiting Ligand Conformations in Drug Design. EuroCUP I, Sheffield, UK, 2007.","DOI":"10.1002\/9783527621286.ch8"},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"583","DOI":"10.1021\/ci700352q","volume":"48","author":"Goto J.","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"325","DOI":"10.1002\/prot.20497","volume":"60","author":"Cole J. C.","year":"2005","journal-title":"Proteins: Struct., Funct., Bioinf."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"1411","DOI":"10.1021\/ci800084x","volume":"48","author":"Yusuf D.","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"5912","DOI":"10.1021\/jm050362n","volume":"49","author":"Warren G. L.","year":"2006","journal-title":"J. Med. Chem."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci100031x","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,22]],"date-time":"2023-03-22T05:08:06Z","timestamp":1679461686000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci100031x"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2010,3,17]]},"references-count":40,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2010,4,26]]}},"alternative-id":["10.1021\/ci100031x"],"URL":"https:\/\/doi.org\/10.1021\/ci100031x","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2010,3,17]]}}}