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Identification of Plasmodium falciparum Spermidine Synthase Active Site Binders through Structure-Based Virtual Screening
Jacobsson, et al. J. Med. Chem., 2008, 51, 2777-2786- Publication
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FTree query construction for virtual screening: a statistical analysis
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3-D QSAR and molecular docking studies on aryl benzofuran-2-yl ketoxime derivatives as candida albicans N-myristoyl transferase inhibitors
Telvekar, et al. QSAR and Combinatorial Science, 2008, 27, 1193-1203- Publication
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QSAR models for prediction of glycogen synthase kinase-3′ inhibitory activity of indirubin derivatives
Lather, et al. QSAR and Combinatorial Science, 2008, 27, 718-728- Publication
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Novel ‘-Aminobutyric Acid ‘1 Receptor Antagonists; Synthesis, Pharmacological Activity and Structure-Activity Relationships
Kumar, et al. J. Med. Chem., 2008, 51, 3825-3840- Publication
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Pharmacophore Refinement and 3D-QSAR Studies of Histamine H3 Antagonists
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Pharmacophore mapping of a series of pyrrolopyrimidines, indolopyrimidines and their congeners as multidrug resistance-associated protein (MRP1) modulators
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Pharmacophore Mapping and Electronic Feature Analysis for a Series of Nitroaromatic Compounds with Antitubercular Activity
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Technique for Generating Three-Dimensional Alignments of Multiple Ligands from One-Dimensional Alignments
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Overcoming Undesirable hERG Potency of Chemokine Receptor Antagonists Using Baseline Lipophilicity Relationships
Shamovsky, et al. J. Med. Chem., 2008, 51, 1162-1178- Publication
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Synthesis, Activity, and Pharmacophore Development for Isatin-‘-thiosemicarbazones with Selective Activity toward Multidrug-Resistant Cells
Hall, et al. J. Med. Chem., 2009, 52, 3191-3204- Publication
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Three-dimensional quantitative structure-selectivity relationships analysis guided rational design of a highly selective ligan for the cannabiniod receptor 2
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