AMBER Archive (2007)

Subject: Re: AMBER: MM-PBSA calculation with GB dynamic

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Wed May 16 2007 - 09:03:01 CDT

yes, for example see:

*Rizzo, R. C.*; Toba, S.; Kuntz, I. D. A Molecular Basis for the Selectivity
of Thiadiazole Urea Inhibitors with Stromelysin-1 and Gelatinase-A from
Generalized Born Molecular Dynamics Simulations. *J. Med. Chem *., *2004*, *
47*, 3065-3074.

On 5/16/07, Andrea - Tisacali <andreagia71_at_tiscali.it> wrote:
>
> Can I perform a MM-PBSA calculation using Generalized Born model in the
> protein+ligand production molecular dynamic ?
>
> Thanks a lot
>
> Andrea Giachetti
>
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-- 
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Carlos L. Simmerling, Ph.D.
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Stony Brook University              E-mail: carlos.simmerling_at_gmail.com
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