Hi,
I want to estimate the absolute binding free energy of a protein-steroid
complex using the MM-PBSA method. I am using iAPBS for the solution to the
PB equation. My question is, does the nonpolar term include the dispersion
term? Does the MM-PBSA method (using iAPBS) calculate nonpolar term using
the equation:
G_{np} = \gamma * SASA + b where \gamma = 0.00549 kcal.mol^{-1}\AA^{-2} and
b = 0.92 kcal/mol ?
Thanks
Chanchal
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Received on Fri Nov 12 2010 - 08:00:03 PST
