Re: [Apbs-users] Protein Solvation energy vs temperature

[dvorsky <rad...@mp...>]

Hallo!

   I've done something similar (dependency of protein dynamics on 
temperature) several years ago... Did you check the overall properties 
of your protein - surface and volume? Exposure could remain but the 
increase of SAS could influence the solvation dG. And yet it still 
without volume work... But it might be all in the book recommended by 
Nathan.
   I'm curious, please, let me know what you have found and concluded.

Thanks,

Radovan

Nathan Baker schrieb:
> 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.
>>
>> Cesar
>>
>> -- 
>> ###########
>> "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: cm...@se... <mailto:cm...@se...>
>>          pac...@gm... <mailto:pac...@gm...>
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> --
> Associate Professor, Dept. of Biochemistry and Molecular Biophysics
> Center for Computational Biology, Washington University in St. Louis
> Web: http://cholla.wustl.edu/
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