Any Open-Source, Free Software That Can Be Used to Computationally Calculate Binding Affinity Between Two Molecules? [closed]








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There are programs out there which calculate the binding affinity between a ligand and a target protein (Autodock 4, Autodock Vina, Chimera... etc). Is there any analogous program that can be used to calculate the binding affinities between two molecules?


For my purposes, I'd like to computationally determine the binding affinity between crystalline hydroxyapatite and an analogue of a bisphosphonate molecule.


