{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,12]],"date-time":"2026-04-12T18:28:38Z","timestamp":1776018518826,"version":"3.50.1"},"reference-count":25,"publisher":"American Chemical Society (ACS)","issue":"3","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2012,3,26]]},"DOI":"10.1021\/ci200598m","type":"journal-article","created":{"date-parts":[[2012,3,1]],"date-time":"2012-03-01T16:50:28Z","timestamp":1330620628000},"page":"724-738","source":"Crossref","is-referenced-by-count":44,"title":["Numerical Errors and Chaotic Behavior in Docking Simulations"],"prefix":"10.1021","volume":"52","author":[{"given":"Miklos","family":"Feher","sequence":"first","affiliation":[{"name":"Campbell Family Institute for Breast Cancer Research, University Health\rNetwork, Toronto Medical Discovery Tower, 101 College Street, Suite\r5-361, Toronto, ON, M5G 1L7, Canada"}]},{"given":"Christopher I.","family":"Williams","sequence":"additional","affiliation":[{"name":"Chemical Computing Group, Suite 910, 1010\rSherbrooke Street W., Montreal, QC, H3A 2R7, Canada"}]}],"member":"316","published-online":{"date-parts":[[2012,3,13]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"259","DOI":"10.1023\/A:1008153532043","volume":"18","author":"He Y.","year":"2001","journal-title":"J. Supercomput."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"39","DOI":"10.1007\/s10822-007-9154-7","volume":"22","author":"Williams C. I.","year":"2008","journal-title":"J. Comput-Aided Mol. Des."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"417","DOI":"10.1002\/(SICI)1097-0134(199712)29:4<417::AID-PROT2>3.0.CO;2-5","volume":"29","author":"Braxenthaler M.","year":"1997","journal-title":"PROTEINS: Struct. Funct. Genet."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"1704","DOI":"10.1021\/ci9000629","volume":"49","author":"Feher M","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"1609","DOI":"10.1021\/ci7000378","volume":"47","author":"Onodera K.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"1549","DOI":"10.1021\/ci100204x","volume":"50","author":"Feher M.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref7\/cit7","unstructured":"GOLD, version 4.1;Cambridge Crystallographic Database:Cambridge, U.K., 2009."},{"key":"ref8\/cit8","volume-title":"Glide","year":"2010"},{"key":"ref9\/cit9","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":"ref10\/cit10","volume-title":"Corina","year":"2006"},{"key":"ref11\/cit11","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":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"720","DOI":"10.1002\/(SICI)1096-987X(199905)20:7<720::AID-JCC7>3.0.CO;2-X","volume":"20","author":"Halgren T. A.","year":"1999","journal-title":"J. Comput. Chem."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"1065","DOI":"10.1023\/A:1015941316283","volume":"15","author":"Feher M.","year":"2001","journal-title":"J. Comput-Aided Mol. Des."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"810","DOI":"10.1021\/ci0200671","volume":"43","author":"Feher M.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1016\/0167-2789(85)90001-6","volume":"17","author":"McDonald S. W.","year":"1985","journal-title":"Phys. D"},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"1101","DOI":"10.1002\/1096-987X(200009)21:12<1101::AID-JCC6>3.0.CO;2-V","volume":"21","author":"Xu Y. Z.","year":"2000","journal-title":"J. Comput. Chem."},{"key":"ref18\/cit18","isbn-type":"print","volume-title":"The Essence of Chaos","author":"Lorenz E.","year":"1996","ISBN":"https:\/\/id.crossref.org\/isbn\/0295975148"},{"key":"ref19\/cit19","isbn-type":"print","volume-title":"Chaos: Making a new Science","author":"Gleick J.","year":"1987","ISBN":"https:\/\/id.crossref.org\/isbn\/0140092501"},{"key":"ref20\/cit20","unstructured":"Sornette, D.Nature Debates: Earthquakes; 1999; http:\/\/www.nature.com\/nature\/debates\/earthquake\/(accessed 9\/19\/2002)."},{"key":"ref21\/cit21","first-page":"130","volume":"1022","author":"Groison D.","year":"2002","journal-title":"Sci. Vie"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"1633","DOI":"10.1063\/1.476737","volume":"109","author":"Barth E.","year":"1998","journal-title":"J. Chem. Phys."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"318","DOI":"10.1006\/jcph.1993.1220","volume":"109","author":"Biesiadecki J. J.","year":"1993","journal-title":"J. Comput. Phys."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"1785","DOI":"10.1002\/(SICI)1096-987X(19971115)18:14<1785::AID-JCC7>3.0.CO;2-G","volume":"18","author":"Bishop T. C.","year":"1997","journal-title":"J. Comput. Chem."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"74","DOI":"10.1006\/jcph.1999.6202","volume":"151","author":"Sandu1 A.","year":"1999","journal-title":"J. Comput. Phys."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"64","DOI":"10.1109\/MCSE.2011.21","volume":"14","author":"Diethelm K.","year":"2012","journal-title":"Comp. Sci. Eng."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci200598m","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,15]],"date-time":"2023-04-15T05:26:43Z","timestamp":1681536403000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci200598m"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2012,3,13]]},"references-count":25,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2012,3,26]]}},"alternative-id":["10.1021\/ci200598m"],"URL":"https:\/\/doi.org\/10.1021\/ci200598m","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2012,3,13]]}}}