Hi Cesar --

There's a rich literature on the temperature dependence of solvation with many good articles and books.  You might start with the book "Molecular Theory of Solutions" by Arieh Ben-Naim for a good overview.

-- Nathan

On Sep 30, 2008, at 10:26 PM, Cesar Millan wrote:

Hi everyone, I'm studying the thermostability of a protein. For this I ran multiple molecular dynamics simulations on a range of temperatures. I wanted to know how solvation energy changed versus temperature, and what I found is that the solvation energy decrease when I increase the temperature. I really don't know exactly how to explain this (more exposure of hidrophillic atoms?), does anyone have any experience on this kind of calculations or any reference that I may read?

Thank you for any help.


"There is no form of prose more difficult to understand and more tedious to read
than the average scientific paper."
                        -- Francis Crick, "The Astonishing Hypothesis"  


César Millán Pacheco
Facultad de Ciencias
Universidad Autonoma del Estado de Morelos
Tel: 777 3297020
Fax: 777 3207040
email: cmp@servm.fc.uaem.mx
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Associate Professor, Dept. of Biochemistry and Molecular Biophysics
Center for Computational Biology, Washington University in St. Louis