I found the following article very informative wrt the different options
when using MM-PBSA:
.Article{70857,
author = {H. Gohlke and D. A. Case},
title = {Converging free energy estimates: MM-PB(GB)SA studies on
the protein-protein complex Ras-Raf},
journal = {J. Comput. Chem.},
year = {2004},
volume = {25},
pages = {238-250},
}
Best,
Oliver
A. Hungie wrote:
> Dear All,
>
> I would like to compare free energy of two conformations of dimer, by
> taking into account water effect, also without water effect. What
> program should I use, MM-PBSA or GIBBS? If I should use MM-PBSA, should
> I use GB or PB method?
> Thank you very much in advance.
>
> Regards,
> Hungie
>
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Oliver Hucke, Dr.
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Received on Fri Jun 04 2004 - 20:53:00 PDT
