Dear Amber users,
I am trying to predict the best binding pose of a ligand to protein. For
this, I ran short simulations (30-50 ns) of different docked poses of the
ligand with protein. I just wonder whether a comparison of deltaG binding (
calculated using MMPBSA.py) will be helpful in identifying the most
probable binding pose of the ligand?
Many thanks on in advance
Anu
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Received on Wed Jul 20 2016 - 09:30:02 PDT
