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Journal of Computer-Aided Molecular Design|May 22, 2010
A computational analysis of the binding model of MDM2 with inhibitorsGuodong Hu, Dunyou Wang, Xinguo Liu, et al.Journal of Computer-Aided Molecular Design|May 22, 2010
Tautomerism in drug discoveryAlan R Katritzky, C Dennis Hall, Bahaa El-Dien M El-Gendy, et al.Journal of Computer-Aided Molecular Design|June 1, 2010
Allosteric antagonist binding sites in class B GPCRs: corticotropin receptor 1Supriyo Bhattacharya, Govindan Subramanian, Spencer Hall, et al.Journal of Computer-Aided Molecular Design|September 16, 2010
Calibrative approaches to protein solubility modeling of a mutant series using physicochemical descriptorsWilliam F Long, P LabuteJournal of Computer-Aided Molecular Design|March 30, 2010
Tautomers and reference 3D-structures: the orphans of in silico drug designTimothy ClarkJournal of Computer-Aided Molecular Design|April 20, 2006
New leads for selective GSK-3 inhibition: pharmacophore mapping and virtual screening studiesDhilon S Patel, Prasad V BharatamJournal of Computer-Aided Molecular Design|April 1, 2010
Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solutionJeremy R Greenwood, David Calkins, Arron P Sullivan, et al.Journal of Computer-Aided Molecular Design|April 1, 2010
Predictions of hydration free energies from continuum solvent with solute polarizable models: the SAMPL2 blind challengeAlexandre Meunier, Jean-François TruchonJournal of Computer-Aided Molecular Design|April 8, 2010
Predicting hydration free energies using all-atom molecular dynamics simulations and multiple starting conformationsPavel V Klimovich, David L MobleyJournal of Computer-Aided Molecular Design|April 8, 2010
SAMPL2 and continuum modelingAnthony Nicholls, Stanislaw Wlodek, J Andrew GrantPageof 264