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Journal of Computer-Aided Molecular Design|August 2, 2007
Generation of a homology model of the human histamine H(3) receptor for ligand docking and pharmacophore-based screeningBirgit Schlegel, Christian Laggner, Rene Meier, et al.Journal of Computer-Aided Molecular Design|July 17, 2007
Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery moleculesTimon Sebastian Schroeter, Anton Schwaighofer, Sebastian Mika, et al.Journal of Computer-Aided Molecular Design|July 25, 2007
Construction of 3D models of the CYP11B family as a tool to predict ligand binding characteristicsLuc Roumen, Marijn P A Sanders, Koen Pieterse, et al.Journal of Computer-Aided Molecular Design|July 18, 2006
Electrostatic evaluation of isosteric analoguesRoger Sayle, Anthony NichollsJournal of Computer-Aided Molecular Design|October 4, 2006
Defining the nucleotide binding sites of P2Y receptors using rhodopsin-based homology modelingAndrei A Ivanov, Stefano Costanzi, Kenneth A JacobsonJournal of Computer-Aided Molecular Design|June 29, 2007
Exploring fragment spaces under multiple physicochemical constraintsJuri Pärn, Jörg Degen, Matthias RareyJournal of Computer-Aided Molecular Design|June 6, 2007
Understanding hERG inhibition with QSAR models based on a one-dimensional molecular representationDavid J Diller, Doug W HobbsJournal of Computer-Aided Molecular Design|October 20, 2006
Efficient overlay of small organic molecules using 3D pharmacophoresGerhard Wolber, Alois A Dornhofer, Thierry LangerJournal of Computer-Aided Molecular Design|February 1, 2007
Ultrafast de novo docking combining pharmacophores and combinatoricsMarcus Gastreich, Markus Lilienthal, Hans Briem, et al.Journal of Computer-Aided Molecular Design|January 6, 2007
Feature-map vectors: a new class of informative descriptors for computational drug discoveryGregory A Landrum, Julie E Penzotti, Santosh PuttaPageof 265