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PharmacyChemistryPharmacologyDrug DiscoveryOrganic ChemistryStructure-activity RelationshipsLigand-based DesignMolecular DockingMolecular ModelingProtein DockingProtein-ligand DockingStructure-activity Relationship AnalysisDocking-based Drug DesignMolecular Docking AnalysisMolecular Docking Of InhibitorsMolecular Docking OptimizationMolecular Docking ValidationProtein-protein-ligand DockingSmall-molecule Docking
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Robert G. Parr, László von Szentpály, Shubin Liu · Journal of the American Chemical Society · 1999 · 7.3K citations