[Chimera-users] Denaturing a protein

[Elaine Meng]

Hi Vamsee,
Sorry no, there is no way to do those kinds of calculations in Chimera.
Best,
Elaine
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Elaine C. Meng, Ph.D.                       
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco


On Sep 13, 2012, at 6:31 PM, vamsee wrote:

> Hi Elaine,
> Thanks for the answer for the previous question. I am back with one more :)
> 
> Is there a way to completely denature a protein in Chimera? The idea is to completely unfold a particular protein (for ex: chemical denaturation GdHCl/Urea or thermal denaturation) to its primary structure. Also can this be modeled in such a way that we can extract thermodynamic parameters from the modeling? I do understand this sounds a lot like a Molecular Dynamics simulation but maybe there is a way in Chimera?
> Thanks again
> Vamsee