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  • Publication
  • Sep 8, 2015
Exploring Conformational Search Protocols for Ligand-based Virtual Screening and 3-D QSAR Modeling
Cappel, et al. J. Comput. Aided Mol. Des., 2015, 29(2), 165-182
  • Publication
  • Sep 8, 2015
Computational Validation of the Importance of Absolute Stereochemistry in Virtual Screening
Brooks, et al. J. Chem. Inf. Model, 2008, 48, 639-645
  • Publication
  • Sep 8, 2015
Pose prediction accuracy in docking studies and enrichment of actives in the active site of GSK-3′
Gadakar, et al. J. Chem. Inf. Model., 2007, 47, 1446-1459
  • Publication
  • Sep 8, 2015
On the Rational Design of Zeolite Clusters
Migues, et al. ACS Catal., 2015, 5, 2859-2865
  • Publication
  • Sep 8, 2015
Novel Human Lipoxygenase Inhibitors Discovered Using Virtual Screening with Homology Models
Kenyon, et al. J. Med. Chem., 2006, 49, 1356-1363
  • Publication
  • Sep 8, 2015
Pseudospectral Time-Dependent Density Functional Theory
Ko, et al. J. Chem. Phys., 2008, 128, 104103-104111
  • Publication
  • Sep 8, 2015
2,6-Disubstituted N-Arylsulfonyl Piperidines as Gamma-Secretase Inhibitors
Pissarnitski, et al. Bioorganic & Medicinal Chemistry Letters, 2007, 17, 57-62
  • Publication
  • Sep 8, 2015
Hydroxide instead of bicarbonate in the structure of the oxygen evolving complex
Siegbahn, et al. J. Inorg. Biochem., 2006, 100, 1035-1040
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