Re: [AMBER] Thermodynamic integration for protein-protein interactions

From: David A Case <>
Date: Mon, 22 Feb 2021 07:54:33 -0500

On Sat, Feb 20, 2021, wrote:
> how about using MMPBSA method to evaluate the effect of mutation on protein
> binding?

Have you looked at Tutorial 7.1? It's opening sentence is this: "In this
tutorial we will use the MM-PBSA method to calculate the binding free energy
for the association of two proteins." There is some analysis of mutations
here as well.


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Received on Mon Feb 22 2021 - 05:00:03 PST
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