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Journal of Computer-Aided Molecular Design|June 18, 2009
Fragment-based lead generation: identification of seed fragments by a highly efficient fragment screening technologyLars Neumann, Allegra Ritscher, Gerhard Müller, et al.Journal of Computer-Aided Molecular Design|June 18, 2009
The multiple roles of computational chemistry in fragment-based drug designRichard Law, Oliver Barker, John J Barker, et al.Journal of Computer-Aided Molecular Design|April 13, 2010
Blind prediction test of free energies of hydration with COSMO-RSAndreas Klamt, Michael DiedenhofenJournal of Computer-Aided Molecular Design|December 23, 2011
Predicting hydration free energies of polychlorinated aromatic compounds from the SAMPL-3 data set with FiSH and LIE modelsTraian Sulea, Enrico O PurisimaJournal of Computer-Aided Molecular Design|February 1, 2012
A fragment-based approach to the SAMPL3 ChallengeJohn L Kulp, Seth N Blumenthal, Qiang Wang, et al.Journal of Computer-Aided Molecular Design|December 1, 2011
Designing the molecular futureGisbert SchneiderJournal of Computer-Aided Molecular Design|December 1, 2011
The inevitable QSAR renaissanceRichard D CramerJournal of Computer-Aided Molecular Design|June 1, 1990
A semiempirical SCF-MO study of the tautomeric forms of 3-acetyl tetronic- and tetramic acidsH B Broughton, P R WoodwardJournal of Computer-Aided Molecular Design|June 1, 1990
Automatic log P estimation based on combined additive modeling methodsT Suzuki, Y KudoJournal of Computer-Aided Molecular Design|November 1, 2011
Carboxylator: incorporating solvent-accessible surface area for identifying protein carboxylation sitesCheng-Tsung Lu, Shu-An Chen, Neil Arvin Bretaña, et al.Pageof 263