{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,21]],"date-time":"2025-10-21T14:51:32Z","timestamp":1761058292914},"reference-count":35,"publisher":"Springer Science and Business Media LLC","issue":"3","license":[{"start":{"date-parts":[[2005,3,1]],"date-time":"2005-03-01T00:00:00Z","timestamp":1109635200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Aided Mol Des"],"published-print":{"date-parts":[[2005,3]]},"DOI":"10.1007\/s10822-005-3692-7","type":"journal-article","created":{"date-parts":[[2005,6,27]],"date-time":"2005-06-27T15:17:34Z","timestamp":1119885454000},"page":"149-163","source":"Crossref","is-referenced-by-count":36,"title":["Molecular design of two sterol 14\u03b1-demethylase homology models and their interactions with the azole antifungals ketoconazole and bifonazole"],"prefix":"10.1007","volume":"19","author":[{"given":"Bernd","family":"Rupp","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Stephan","family":"Raub","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Christel","family":"Marian","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hans-Dieter","family":"H\u00f6ltje","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","reference":[{"key":"3692_CR1","unstructured":"Omura, T. and Ishimura, Y., Fujii-Kuriyama: Cytochrome-P450, 1993, ISBN: 3-527-30016-3"},{"key":"3692_CR2","doi-asserted-by":"crossref","first-page":"40","DOI":"10.1128\/CMR.12.1.40","volume":"12","author":"D.J. Sheehan","year":"1999","journal-title":"Clin. Microbiol. Rev."},{"key":"3692_CR3","doi-asserted-by":"crossref","first-page":"279","DOI":"10.1128\/AAC.40.2.279","volume":"40","author":"N.H. Georgopapadakou","year":"1996","journal-title":"J. Antifungal Agents"},{"key":"3692_CR4","doi-asserted-by":"crossref","first-page":"76","DOI":"10.1016\/S1471-4914(02)02280-3","volume":"8","author":"A. Lupetti","year":"2002","journal-title":"Trends Mol. Med."},{"key":"3692_CR5","doi-asserted-by":"crossref","first-page":"165","DOI":"10.1016\/S0009-2797(99)00169-6","volume":"125","author":"D.C. Lamb","year":"2000","journal-title":"Chem. Biol. Interact."},{"key":"3692_CR6","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1128\/CMR.1.2.187","volume":"1","author":"R.A. Fromtling","year":"1988","journal-title":"Clin. Microbiol. Rev."},{"key":"3692_CR7","doi-asserted-by":"crossref","first-page":"3068","DOI":"10.1073\/pnas.061562898","volume":"98","author":"L.M. Podust","year":"2001","journal-title":"Proc. Nat. Acad. Sci."},{"key":"3692_CR8","unstructured":"van der Spoel, D., van Buuren, A.R., Apol, E., Meulenhoff, P.J., Thieleman, D.P., Sijbers, A.L., Hess, B., Feenstra, K.A. and Berendsen, H.J., Gromacs User Manual version 3.0, 2001"},{"key":"3692_CR9","doi-asserted-by":"crossref","first-page":"2841","DOI":"10.1021\/cr9500500","volume":"69","author":"M. Sono","year":"1996","journal-title":"Chem. Rev."},{"key":"3692_CR10","doi-asserted-by":"crossref","first-page":"399","DOI":"10.1039\/a809385g","volume":"2","author":"M. Filatov","year":"1999","journal-title":"J. Chem. Soc., Perkin Trans."},{"key":"3692_CR11","doi-asserted-by":"crossref","first-page":"8474","DOI":"10.1063\/1.468839","volume":"102","author":"V. Jonas","year":"1995","journal-title":"J. Chem. Phys."},{"key":"3692_CR12","doi-asserted-by":"crossref","first-page":"3098","DOI":"10.1103\/PhysRevA.38.3098","volume":"38","author":"A.D. Becke","year":"1988","journal-title":"Phys. Rev. A"},{"key":"3692_CR13","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","volume":"41","author":"C. Lee","year":"1988","journal-title":"Phys. Rev. B"},{"issue":"3","key":"3692_CR14","doi-asserted-by":"crossref","first-page":"165","DOI":"10.1016\/0009-2614(89)85118-8","volume":"162","author":"R. Ahlrichs","year":"1989","journal-title":"Chem. Phys. Lett."},{"key":"3692_CR15","doi-asserted-by":"crossref","first-page":"346","DOI":"10.1063\/1.469408","volume":"102","author":"O. Treutler","year":"1995","journal-title":"J. Chem. Phys."},{"key":"3692_CR16","unstructured":"Grimme, S., Gleichmann, M., Gastreich M. and Marian, C., ef.x, Universit\u00e4t Bonn"},{"key":"3692_CR17","unstructured":"The PsiPred Server at URL: http:\/\/bioinf.cs.ucl.ac.uk\/psipred\/"},{"issue":"6","key":"3692_CR18","first-page":"435","volume":"56","author":"A. Schappach","year":"2001","journal-title":"Die Pharmazie"},{"key":"3692_CR19","unstructured":"Stahl, G., H\u00f6ltje, H.-D., Die Pharmazie 60 (2005) 247"},{"issue":"27","key":"3692_CR20","doi-asserted-by":"crossref","first-page":"8733","DOI":"10.1021\/bi9825089","volume":"38","author":"D.C. Lamb","year":"1999","journal-title":"Biochemistry"},{"key":"3692_CR21","unstructured":"INSIGHT\u00a0II, DISCOVER, HOMOLOGY, Biosym MSI (now accerlerys), 9685 Scranton Road San Diego, CA 9 2121\u20133752"},{"key":"3692_CR22","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1006\/jmbi.2001.4803","volume":"311","author":"J.R. Cupp-Vickery","year":"2001","journal-title":"J.Mol.Biol."},{"key":"3692_CR23","unstructured":"Cambridge Structural Database, Dr. Olga Kennard, F.R.S., Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK"},{"issue":"15","key":"3692_CR24","doi-asserted-by":"crossref","first-page":"2818","DOI":"10.1021\/jm00093a015","volume":"35","author":"D.M. Rotstein","year":"1992","journal-title":"J. Med. Chem."},{"issue":"1","key":"3692_CR25","doi-asserted-by":"crossref","first-page":"37","DOI":"10.1006\/abbi.2000.1859","volume":"379","author":"N. Debeljak","year":"2000","journal-title":"Arch. Biochem. Biophys."},{"key":"3692_CR26","doi-asserted-by":"crossref","first-page":"755","DOI":"10.1002\/(SICI)1097-0061(19990630)15:9<755::AID-YEA417>3.0.CO;2-8","volume":"15","author":"D.C. Lamb","year":"1999","journal-title":"Yeast"},{"issue":"13","key":"3692_CR27","doi-asserted-by":"crossref","first-page":"2720","DOI":"10.1021\/jm011087h","volume":"45","author":"A. Tafi","year":"2002","journal-title":"J. Med. Chem."},{"issue":"15","key":"3692_CR28","doi-asserted-by":"crossref","first-page":"4736","DOI":"10.1021\/jo991937p","volume":"65","author":"M. Botta","year":"2000","journal-title":"J. Org. Chem."},{"key":"3692_CR29","doi-asserted-by":"crossref","first-page":"185","DOI":"10.1016\/0263-7855(94)80086-3","volume":"12","author":"P.E. Boscott","year":"1994","journal-title":"J. Mol. Graph."},{"key":"3692_CR30","doi-asserted-by":"crossref","first-page":"271","DOI":"10.1016\/S0031-6865(97)00036-8","volume":"72","author":"H.-D. H\u00f6ltje","year":"1998","journal-title":"Pharm. Act. Helv."},{"key":"3692_CR31","doi-asserted-by":"crossref","first-page":"175","DOI":"10.3109\/14756369909030315","volume":"14","author":"D.F.V. Lewis","year":"1999","journal-title":"J. Enzym. Inhib."},{"issue":"13","key":"3692_CR32","doi-asserted-by":"crossref","first-page":"2493","DOI":"10.1021\/jm990589g","volume":"43","author":"H. Ji","year":"2000","journal-title":"J. Med. Chem."},{"issue":"22","key":"3692_CR33","doi-asserted-by":"crossref","first-page":"4903","DOI":"10.1021\/jm020980t","volume":"45","author":"A. Rosselo","year":"2002","journal-title":"J. Med. Chem."},{"issue":"4","key":"3692_CR34","doi-asserted-by":"crossref","first-page":"474","DOI":"10.1021\/jm020362c","volume":"46","author":"H. Ji","year":"2003","journal-title":"J. Med. Chem."},{"key":"3692_CR35","doi-asserted-by":"crossref","first-page":"2937","DOI":"10.1016\/j.bmc.2004.03.034","volume":"12","author":"R. Gollapudy","year":"2004","journal-title":"Bioorg. Med. Chem."}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-005-3692-7.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s10822-005-3692-7\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-005-3692-7","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,5,31]],"date-time":"2019-05-31T01:22:51Z","timestamp":1559265771000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s10822-005-3692-7"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2005,3]]},"references-count":35,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2005,3]]}},"alternative-id":["3692"],"URL":"https:\/\/doi.org\/10.1007\/s10822-005-3692-7","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[2005,3]]}}}