From: Jason Swails <>
Date: Wed, 2 Jul 2014 09:19:10 -0700

On Wed, Jul 2, 2014 at 7:32 AM, Soumendranath Bhakat <> wrote:

> Dear Jason;
> Will you please cite any paper which said that MM/PBSa protocol is better
> than GBSA. Though I got numerous examples of GBSA better than PBSA e.g.

I've never surveyed the literature (or used end-state free energy methods
seriously in any of my research), so I have no references to share.

The Ryde group has done a lot of work analyzing the performance of the
MM/PBSA method (along with its variants, like QM/MM-GBSA, MM/3D-RISM, etc.)
with respect to both absolute binding free energies and relative binding
free energies.

Good luck,

Jason M. Swails
Rutgers University
Postdoctoral Researcher
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Received on Wed Jul 02 2014 - 09:30:02 PDT
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