Dear Amber user
I have a query and need your suggestions, please. I want to calculate
ligand binding affinities of a protein-ligand complex in which I have 1
ligand and two cofacors in the same complex. How should I calculate binding
affinities of all with protein using mmpbsa? Do I need to built separate
complexes for all of the three ligands (ligand plus cofactors)?
Any suggestions for the work flow, please?
Thanks in advance.
Sadaf
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Received on Sun Jan 17 2021 - 03:00:02 PST
