{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,14]],"date-time":"2025-10-14T01:08:48Z","timestamp":1760404128739},"reference-count":34,"publisher":"American Chemical Society (ACS)","issue":"11","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2009,11,23]]},"DOI":"10.1021\/ci900163t","type":"journal-article","created":{"date-parts":[[2009,10,14]],"date-time":"2009-10-14T13:07:01Z","timestamp":1255525621000},"page":"2469-2480","source":"Crossref","is-referenced-by-count":10,"title":["Bioactive Conformational Biasing: A New Method for Focusing Conformational Ensembles on Bioactive-Like Conformers"],"prefix":"10.1021","volume":"49","author":[{"given":"Boaz","family":"Musafia","sequence":"first","affiliation":[{"name":"Epix Pharmaceuticals Ltd., 3 Hayetzira St., Ramat Gan 52521, Israel"}]},{"given":"Hanoch","family":"Senderowitz","sequence":"additional","affiliation":[{"name":"Epix Pharmaceuticals Ltd., 3 Hayetzira St., Ramat Gan 52521, Israel"}]}],"member":"316","published-online":{"date-parts":[[2009,10,14]]},"reference":[{"issue":"7","key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"1035","DOI":"10.1021\/jm0003992","volume":"44","author":"Stahl M.","year":"2001","journal-title":"J. Med. Chem."},{"issue":"8","key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"649","DOI":"10.1038\/nrd1799","volume":"4","author":"Schneider G.","year":"2005","journal-title":"Nat. Rev. Drug Discov."},{"issue":"7019","key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"862","DOI":"10.1038\/nature03197","volume":"432","author":"Shoichet B. K.","year":"2004","journal-title":"Nature"},{"issue":"1","key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"37","DOI":"10.2174\/092986708783330683","volume":"15","author":"Guido R. V.","year":"2008","journal-title":"Curr. Med. Chem."},{"issue":"20","key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"1047","DOI":"10.1016\/S1359-6446(02)02483-2","volume":"7","author":"Lyne P. D.","year":"2002","journal-title":"Drug Discov. Today"},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"335","DOI":"10.1146\/annurev.biophys.32.110601.142532","volume":"32","author":"Brooijmans N.","year":"2003","journal-title":"Annu. Rev. Biophys. Biomol. Struct."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1093\/nar\/28.1.235","volume":"28","author":"Berman H. M.","year":"200","journal-title":"Nucleic Acids Res."},{"issue":"2","key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"133","DOI":"10.2174\/157340907780809516","volume":"3","author":"Prathipati P.","year":"2007","journal-title":"Curr. Comput.-Aided Drug Des."},{"issue":"12","key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"1321","DOI":"10.2174\/1568026023392940","volume":"2","author":"Guner O. F.","year":"2002","journal-title":"Curr. Top. Med. Chem."},{"key":"ref9\/cit9","first-page":"1","volume-title":"Reviews in Computational Chemistry","author":"Leach A. R.","year":"1991"},{"key":"ref10\/cit10","volume-title":"Handbook of Chemoinformatics","author":"Schwab C. H.","year":"2003"},{"issue":"9","key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"1669","DOI":"10.1021\/jm00117a001","volume":"31","author":"Howard A. E.","year":"1988","journal-title":"J. Med. Chem."},{"issue":"12","key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"1137","DOI":"10.1023\/A:1015930826903","volume":"15","author":"Bostrom J.","year":"2001","journal-title":"J. Comput.-Aided Mol. Des."},{"issue":"1","key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1016\/S1093-3263(03)00123-2","volume":"22","author":"Good A. C.","year":"2003","journal-title":"J. Mol. Graph. Model."},{"issue":"10","key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"2499","DOI":"10.1021\/jm030563w","volume":"47","author":"Perola E.","year":"2004","journal-title":"J. Med. Chem."},{"issue":"2","key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"422","DOI":"10.1021\/ci049753l","volume":"45","author":"Kirchmair J.","year":"2005","journal-title":"J. Chem. In.f Model."},{"issue":"3","key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"1067","DOI":"10.1021\/ci6005454","volume":"47","author":"Agrafiotis D. K.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"issue":"9","key":"ref17\/cit17","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."},{"issue":"5","key":"ref18\/cit18","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. Graph. Model."},{"issue":"4","key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"1428","DOI":"10.1021\/ci7000956","volume":"47","author":"Borodina Y. V.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"issue":"16","key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"1962","DOI":"10.1002\/jcc.20506","volume":"27","author":"Izrailev S.","year":"2006","journal-title":"J. Comput. Chem."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"W568","DOI":"10.1093\/nar\/gkm289","volume":"35","author":"Leite T. B.","year":"2007","journal-title":"Nucleic Acids Res."},{"issue":"4","key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"928","DOI":"10.1016\/j.jmb.2005.12.012","volume":"356","author":"Stockwell G. R.","year":"2006","journal-title":"J. Mol. Biol."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"293","DOI":"10.1186\/1471-2105-7-293","volume":"7","author":"Gunther S.","year":"2006","journal-title":"BMC Bioinformatics"},{"issue":"2","key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1023\/A:1016320106741","volume":"16","author":"Diller D. J.","year":"2002","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"122","DOI":"10.1186\/1471-2105-6-122","volume":"6","author":"Michalsky E.","year":"2005","journal-title":"BMC Bioinformatics"},{"key":"ref26\/cit26","unstructured":"Discovery Studio, version2.1;Accelrys Inc.,San Diego, CA;www.accelrys.com."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"4379","DOI":"10.1021\/ja00194a035","volume":"111","author":"Chang G.","year":"1989","journal-title":"J. Am. Chem. Soc."},{"key":"ref28\/cit28","unstructured":"Maestro 7.5;Schr\u00f6dinger Inc.,Portland, OR;www.schrodinger.com."},{"issue":"4","key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"440","DOI":"10.1002\/jcc.540110405","volume":"11","author":"Mohamadi F.","year":"1990","journal-title":"J. Comput. Chem."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1002\/jcc.540160205","volume":"16","author":"Smellie A.","year":"1995","journal-title":"J. Comput. Chem."},{"key":"ref31\/cit31","first-page":"338","volume-title":"Pharmacophores and Pharmacophore Searches","author":"Triballeau N.","year":"2006"},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"2139","DOI":"10.1021\/jm011005p","volume":"45","author":"Vedani A.","year":"2002","journal-title":"J. Med. Chem."},{"issue":"13","key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"1549","DOI":"10.1002\/jcc.10306","volume":"24","author":"Wu G.","year":"2003","journal-title":"J. Comput. Chem."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci900163t","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,9]],"date-time":"2023-03-09T14:10:46Z","timestamp":1678371046000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci900163t"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2009,10,14]]},"references-count":34,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2009,11,23]]}},"alternative-id":["10.1021\/ci900163t"],"URL":"https:\/\/doi.org\/10.1021\/ci900163t","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2009,10,14]]}}}