Re: [AMBER] The validity of a per-residue decomposition in amber

From: David A Case <>
Date: Thu, 31 Mar 2011 08:53:02 -0400

On Wed, Mar 30, 2011, g t wrote:
> Thanks very much for your reply. do you know of any papers that deal with
> this? I had a hunt, but I didn't find anything.

Try these:

%A A.E. Mark
%A W.F. van\0Gunsteren
%V Decomposition of the free energy of a system in terms of specific
interactions. Implications for theoretical and experimental studies
%J J. Mol. Biol.
%V 240
%P 167-176
%D 1994

%A S. Boresch
%A G. Archontis
%A M. Karplus
%T Free energy simulations: The meaning of the individual contributions from a
component analysis
%J Proteins
%V 20
%P 25-33
%D 1994

%A G.P. Brady
%A A. Szabo
%A K.A. Sharp
%T On the decomposition of free energies
%J J. Mol. Biol.
%V 263
%P 123-125
%D 1996

Others may know of more recent work....


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