{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2023,4,4]],"date-time":"2023-04-04T04:10:53Z","timestamp":1680581453337},"reference-count":44,"publisher":"American Chemical Society (ACS)","issue":"2","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2012,2,27]]},"DOI":"10.1021\/ci200442h","type":"journal-article","created":{"date-parts":[[2012,1,11]],"date-time":"2012-01-11T18:07:03Z","timestamp":1326305223000},"page":"577-588","source":"Crossref","is-referenced-by-count":3,"title":["Modeling Flexible Pharmacophores with Distance Geometry, Scoring, and Bound Stretching"],"prefix":"10.1021","volume":"52","author":[{"given":"Michael","family":"Binns","sequence":"first","affiliation":[{"name":"School\rof Chemical Engineering and Analytical Science and \u2021Manchester Interdisciplinary Biocentre, University of Manchester, Manchester\rM13 9PL, United Kingdom"}]},{"given":"Sam P.","family":"de Visser","sequence":"additional","affiliation":[{"name":"School\rof Chemical Engineering and Analytical Science and \u2021Manchester Interdisciplinary Biocentre, University of Manchester, Manchester\rM13 9PL, United Kingdom"}]},{"given":"Constantinos","family":"Theodoropoulos","sequence":"additional","affiliation":[{"name":"School\rof Chemical Engineering and Analytical Science and \u2021Manchester Interdisciplinary Biocentre, University of Manchester, Manchester\rM13 9PL, United Kingdom"}]}],"member":"316","published-online":{"date-parts":[[2012,2,10]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1007\/BF01590992","volume":"3","author":"Dammkoehler R. A.","year":"1989","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"735","DOI":"10.1007\/s10822-006-9086-7","volume":"20","author":"Cottrell S. J.","year":"2006","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"899","DOI":"10.1021\/jm00156a005","volume":"29","author":"Sheridan R.","year":"1986","journal-title":"J. Med. Chem."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1007\/BF00141577","volume":"7","author":"Martin Y. C.","year":"1993","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"532","DOI":"10.1007\/BF00124324","volume":"9","author":"Jones G.","year":"1995","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref6\/cit6","first-page":"69","volume-title":"Pharmacophore Perception, Development, and Use in Drug Design","author":"Clement O. O.","year":"2000","edition":"1"},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"647","DOI":"10.1007\/s10822-006-9087-6","volume":"20","author":"Dixon S.","year":"2006","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"567","DOI":"10.1007\/s10822-006-9082-y","volume":"20","author":"Richmond N.","year":"2006","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"1619","DOI":"10.1021\/ci7000583","volume":"47","author":"Zhu F.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"161","DOI":"10.1016\/j.jmgm.2008.04.003","volume":"27","author":"Taminau J.","year":"2008","journal-title":"J. Mol. Graphics Modell."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"737","DOI":"10.1089\/cmb.2007.0130","volume":"15","author":"Schneidman-Duhovny D.","year":"2008","journal-title":"J. Comput. Biol."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1021\/ci8002478","volume":"49","author":"Podolyan Y.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"2761","DOI":"10.1021\/ci9002816","volume":"49","author":"Gardiner E. J.","year":"2009","journal-title":"J. Chem. Inf. Model."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"2001","DOI":"10.1021\/ci100194k","volume":"50","author":"Jones G.","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"157","DOI":"10.1016\/0263-7855(91)80003-I","volume":"9","author":"Clark D. E.","year":"1991","journal-title":"J. Mol. Graphics"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"908","DOI":"10.1021\/ci034002p","volume":"43","author":"Raymond J.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"615","DOI":"10.1021\/ci0503863","volume":"46","author":"Rhodes N.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"599","DOI":"10.1021\/jm00180a004","volume":"23","author":"Crippen G. M.","year":"1980","journal-title":"J. Med. Chem."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1021\/ci00005a017","volume":"32","author":"Guner O. F.","year":"1992","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"3025","DOI":"10.1016\/j.compchemeng.2011.03.030","volume":"35","author":"Binns M.","year":"2011","journal-title":"Comput. Chem. Eng."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"11853","DOI":"10.1021\/ja036030u","volume":"125","author":"Hattori M.","year":"2003","journal-title":"J. Am. Chem. Soc."},{"key":"ref22\/cit22","first-page":"5","volume":"2","author":"Pearlman R. S.","year":"1987","journal-title":"Chem. Des. Autom. News"},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"233","DOI":"10.1016\/0003-2670(92)85029-6","volume":"265","author":"Sadowski J.","year":"1992","journal-title":"Anal. Chim. Acta"},{"key":"ref24\/cit24","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":"ref25\/cit25","volume-title":"Ligprep","year":"2006"},{"key":"ref26\/cit26","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":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"5011","DOI":"10.1021\/ja952478m","volume":"118","author":"Kolossvary I.","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"ref28\/cit28","volume-title":"MacroModel","year":"2006"},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"203","DOI":"10.1002\/jcc.540100207","volume":"10","author":"Saunders M.","year":"1989","journal-title":"J. Comput. Chem."},{"key":"ref30\/cit30","unstructured":"Gillespie, R. J.; Popelier, P. L. A.Chemical Bonding and Molecular Geometry;Oxford University Press:New York, 2001; pp27\u201333."},{"key":"ref31\/cit31","volume-title":"Gaussian 03","author":"Frisch M. J.","year":"2003"},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"3902","DOI":"10.1021\/ja00299a024","volume":"107","author":"Dewar M. J. S.","year":"1985","journal-title":"J. Am. Chem. Soc."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"1917","DOI":"10.1134\/S0036024411100049","volume":"85","author":"Fedorova I. V.","year":"2011","journal-title":"Russ. J. Phys. Chem. A"},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"4939","DOI":"10.1039\/B409258A","volume":"6","author":"Haber T.","year":"2004","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"1087","DOI":"10.1021\/ja908340j","volume":"132","author":"de Visser S. P.","year":"2010","journal-title":"J. Am. Chem. Soc."},{"key":"ref35\/cit35","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."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"988","DOI":"10.1021\/jm00194a020","volume":"22","author":"Crippen G. M.","year":"1979","journal-title":"J. Med. Chem."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"665","DOI":"10.1016\/S0092-8240(83)80020-2","volume":"45","author":"Havel T. F.","year":"1983","journal-title":"Bull. Math. Biol."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"575","DOI":"10.1145\/362342.362367","volume":"16","author":"Bron C.","year":"1973","journal-title":"Commun. ACM"},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"402","DOI":"10.1093\/nar\/30.1.402","volume":"30","author":"Goto S.","year":"2002","journal-title":"Nucleic Acids Res."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"653","DOI":"10.1023\/A:1021954728347","volume":"16","author":"Patel Y.","year":"2002","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"563","DOI":"10.1021\/ci950273r","volume":"36","author":"Barnum D.","year":"1996","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"1297","DOI":"10.1021\/ci00022a012","volume":"34","author":"Greene J.","year":"1994","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref43\/cit43","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."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci200442h","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,3]],"date-time":"2023-04-03T03:00:27Z","timestamp":1680490827000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci200442h"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2012,2,10]]},"references-count":44,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2012,2,27]]}},"alternative-id":["10.1021\/ci200442h"],"URL":"https:\/\/doi.org\/10.1021\/ci200442h","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2012,2,10]]}}}