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Hi everyone, I have several protein-ligand crystal structures of different ligands bound to a combination of mutants of the same enzyme. I wanted to look at the energetics of these complexes based on the crystal structures. Is there a program or suite of programs that could calculate DeltaG of complex formation, given the high resolution crystal structures. I would be looking for a trend, and possibly an explanation for why some mutations do not seem to form a complex. Thanks for your input. Yuri