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Mixed Quantum Mechanics/Molecular Mechanics Scoring Function To Predict Protein−Ligand Binding Affinity
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach
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Improved protein–ligand docking using GOLD
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Knowledge-based scoring function to predict protein-ligand interactions
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Protein Polarization Is Critical to Stabilizing AF-2 and Helix-2′ Domains in Ligand Binding to PPAR-γ
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Inclusion of Solvation in Ligand Binding Free Energy Calculations Using the Generalized-Born Model
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