[gmx-users] Prion Protein Simulations?

[Bert de Groot]

Anton Feenstra wrote:
> 
> Hi All,
> 
> Has anyone ever tried simulating prions?
> If so I'd like to see some of the results...
> 

Hi, 

have a look at:
http://www.mpibpc.gwdg.de/abteilungen/071/prion.html

the results haven't been published yet, but in short, the native state
of the prion protein was destabilized by conformational flooding, and
in several simulations an extension of the beta-sheet was observed.
A number of residues that is known to be involved in forms of
Creutzfeldt-Jakob and scrapie (when mutated) were found to play a crucial
dynamical role in this putative initial transformation towards the prion form.

Bert

____________________________________________________________________________
Dr. Bert de Groot

Max Planck Institute for Biophysical Chemistry
Theoretical molecular biophysics group
Am Fassberg 11 
37077 Goettingen, Germany

tel: +49-551-2011306, fax: +49-551-2011089

email: bgroot at gwdg.de
http://www.mpibpc.gwdg.de/abteilungen/071/bgroot
____________________________________________________________________________