On Thu, Nov 24, 2005, Tiziano Tuccinardi wrote:
> Is it possible to compare the binding free energy of two ligands with a
> different total charge using the MM_PBSA or the MM_GBSA method?
Yes. However, the expected accuracy is probably less, since there is less
cancelation of error than in the case of a comparison of two ligands of the
same change.
....dac
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Received on Thu Nov 24 2005 - 18:53:00 PST
