[AMBER] Binding Energy Calculation by QM/MM method

From: Kshatresh Dutta Dubey <kshatresh.gmail.com>
Date: Sun, 14 Mar 2010 11:15:17 +0530

Dear All

I have done QM/MM Calculations of a protein ligand complex Using
Amber10. I want to calculate binding energy of the ligand with protein
using QM/MM method. Is there any method to calculate it? If yes , then
how? Kindly give me some reference papers regarding to this method.
Thanks in advance.

Kshatresh Dutta Dubey

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Received on Sat Mar 13 2010 - 22:00:02 PST
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