[Chimera-users] Denaturing a protein

Elaine Meng meng at cgl.ucsf.edu
Fri Sep 14 10:56:49 PDT 2012

Hi Vamsee,
Sorry no, there is no way to do those kinds of calculations in Chimera.
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

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