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Pharmacophore modeling and parallel screening for PPAR ligands.

, , , , and . Journal of Computer-Aided Molecular Design, 21 (10-11): 575-590 (2007)

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FAst MEtabolizer (FAME): A Rapid and Accurate Predictor of Sites of Metabolism in Multiple Species by Endogenous Enzymes., , , , , , , and . Journal of Chemical Information and Modeling, 53 (11): 2896-2907 (2013)Comparative Performance Assessment of the Conformational Model Generators Omega and Catalyst: A Large-Scale Survey on the Retrieval of Protein-Bound Ligand Conformations., , , and . Journal of Chemical Information and Modeling, 46 (4): 1848-1861 (2006)Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms., , , , , , and . Journal of Chemical Information and Modeling, 52 (3): 617-648 (2012)Discovery of Novel Cathepsin S Inhibitors by Pharmacophore-Based Virtual High-Throughput Screening., , , , , , , , , and 2 other author(s). Journal of Chemical Information and Modeling, 48 (8): 1693-1705 (2008)One Concept, Three Implementations of 3D Pharmacophore-Based Virtual Screening: Distinct Coverage of Chemical Search Space., , , , , , and . Journal of Chemical Information and Modeling, 50 (7): 1241-1247 (2010)How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information., , , , , , and . Journal of Chemical Information and Modeling, 49 (3): 678-692 (2009)Hydrogen-Bonding Patterns of Minor Groove-Binder-DNA Complexes Reveal Criteria for Discovery of New Scaffolds., , , , , and . Journal of Chemical Information and Modeling, 49 (4): 1063-1069 (2009)Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers., , , , and . J. Cheminformatics, 6 (1): 29 (2014)High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators., , , , , , and . Journal of Chemical Information and Modeling, 57 (3): 529-539 (2017)Pharmacophore modeling and parallel screening for PPAR ligands., , , , and . Journal of Computer-Aided Molecular Design, 21 (10-11): 575-590 (2007)