[AMBER] Producing Decoys with AmberTools

From: Mohsen Zakeri <mohsen.zakery.gmail.com>
Date: Mon, 13 Jul 2015 00:19:25 +0430


I am trying to evaluate the binding energy between a protein and ligand
using AmberTools, my main intension is to evaluate this binding energy
between different poses of protein-ligand. I want to have the binding
energy of different positions between the same protein and ligand and
compare these poses together, that's why I want to be able to produce lots
of decoys of the same protein and ligand pair and evaluate the energy. Can
I do such a thing with Amber Tools? Can any body give a hint that how I can
do this?

I really appreciate your help.
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Received on Sun Jul 12 2015 - 13:00:02 PDT
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