Alchemical Grid Dock (AlGDock): Binding Free Energy Calculations between Flexible Ligands and Rigid Receptors
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DOI: 10.1002/jcc.26036
Abstract: Alchemical Grid Dock (AlGDock) is open‐source software designed to compute the binding potential of mean force—the binding free energy between a flexible ligand and a rigid receptor—for a small organic ligand and a biological macromolecule.… read more here.
Keywords: dock algdock; alchemical grid; algdock; grid dock ... See more keywords