Journal of Molecular Modeling · 2017 · 28 citations · 60 references
Life SciencesBiochemistryBiophysicsBiomolecular ModelingComputational ChemistryMolecular RecognitionLigand BindingMolecular DockingProtein-ligand BindingProtein-ligand DockingProtein-ligand InteractionsProtein-ligand RecognitionLigand-protein DockingProtein-ligand Binding ModelingProtein-ligand Complex AnalysisProtein-ligand Complex ModelingProtein-ligand Interaction Pharmacophore Models
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text