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Biopolymers|March 2, 2005
Insights from ab initio quantum chemical calculations into the preferred tautomeric forms and binding affinities to CDK2 of substituted pyrazolopyridinesJosé S Duca, Vincent S MadisonJournal of Molecular Graphics & Modelling|November 7, 2008
Induced-fit docking of mometasone furoate and further evidence for glucocorticoid receptor 17alpha pocket flexibilityHongwu Wang, Robert Aslanian, Vincent S MadisonJournal of Chemical Information and Modeling|March 8, 2008
Cross-docking of inhibitors into CDK2 structures. 1José S Duca, Vincent S Madison, Johannes H VoigtJournal of Chemical Information and Modeling|March 8, 2008
Cross-docking of inhibitors into CDK2 structures. 2Johannes H Voigt, Carl Elkin, Vincent S Madison, et al.Journal of the American Chemical Society|September 13, 2002
The active site of a zinc-dependent metalloproteinase influences the computed pK(a) of ligands coordinated to the catalytic zinc ionJason B Cross, José S Duca, James J Kaminski, et al.Journal of Medicinal Chemistry|March 28, 2008
Identification of novel cannabinoid CB1 receptor antagonists by using virtual screening with a pharmacophore modelHongwu Wang, Ruth A Duffy, George C Boykow, et al.Journal of Medicinal Chemistry|August 5, 2005
Design and synthesis of depeptidized macrocyclic inhibitors of hepatitis C NS3-4A protease using structure-based drug designSrikanth Venkatraman, F George Njoroge, Viyyoor M Girijavallabhan, et al.Protein Science : a Publication of the Protein Society|March 22, 2003
NMR characterization of interleukin-2 in complexes with the IL-2Ralpha receptor component, and with low molecular weight compounds that inhibit the IL-2/IL-Ralpha interactionS Donald Emerson, Robert Palermo, Chao-Min Liu, et al.Biochemistry|January 24, 2009
Crystal structures of MEK1 binary and ternary complexes with nucleotides and inhibitorsThierry O Fischmann, Catherine K Smith, Todd W Mayhood, et al.Journal of Medicinal Chemistry|January 2, 2010
Application of fragment-based NMR screening, X-ray crystallography, structure-based design, and focused chemical library design to identify novel microM leads for the development of nM BACE-1 (beta-site APP cleaving enzyme 1) inhibitorsYu-Sen Wang, Corey Strickland, Johannes H Voigt, et al.Pageof 2