Pharmacophore based 3D-QSAR modeling, virtual screening and docking for identification of potential inhibitors of β-secretase

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

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Glide:  A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening

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PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results

Steven L. Dixon, Alexander M. Smondyrev, Eric H. Knoll et al. · Journal of Computer-Aided Molecular Design · 2006 · 1.2K citations

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Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution

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Natural Sciences, Chemistry, Medicinal Chemistry +11

BACE knockout mice are healthy despite lacking the primary beta-secretase activity in brain: implications for Alzheimer's disease therapeutics

Steven L. Roberds · Human Molecular Genetics · 2001 · 703 citations

Life Sciences, Neurobiology, Neuroscience +17