hi:
I am trying to calculate the binding free energy between a peptide and
protein involved a wil type and a mutant complex
As we know, due to the mutation of residue, the entropy change shouldn't
be ignored.
however , it is difficult to compute the free energy for protein-peptide
complex considering the entropy change,
Is it feasible to use MM_PBSA just for the binding site without other
residues far away the active pocket?
If it does, could you provide some relevant references ?
thanks a lot
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Received on Sun Mar 19 2006 - 06:10:04 PST
