Re: [AMBER] Query about MM-PBSA free energy calculation for multiple ligand binding

From: Jason Swails <>
Date: Mon, 18 Nov 2013 07:49:08 -0500

On Mon, 2013-11-18 at 16:34 +0530, Vaibhav Jain wrote:
> Hi Jason,
> Thanks for the reply. Do you have any idea about the literature, where they
> have performed MM-PBSA biding free energy calculations for the 1:n
> stoichiometry of macromolecule and ligand. Please provide link of the
> articles if possible.

I do not have any relevant citations handy, and I don't know of any
studies that did this type of thing. That certainly doesn't mean it's
never been done before, though.

Good luck,

Jason M. Swails
Rutgers University
Postdoctoral Researcher
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Received on Mon Nov 18 2013 - 05:00:04 PST
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