[gmx-users] Membrane protein tilt.

Kay Gottschalk kay.gottschalk at weizmann.ac.il
Wed Jun 2 14:08:35 CEST 2004

There are some papers by Woolfe about helix tilt in lipid bilayer. 
Seems to be not so well defined by MD...

On Jun 2, 2004, at 12:46 PM, John Simms wrote:

> Hi All,
> I am asking for some advise, I work with a class of GPCRs (unrelated 
> to the rhodopsin family inwhich a crystal structure exists and 
> homology models can be build) and am in the middle of building a model 
> de novo. My question is regarding transmembrane tilts with respect to 
> the lipid bilayer. If I start with a helix normal to the membrane and 
> let it run, will it adopt its equilibrium position (given enough time; 
> within the constraints of computer power)? The other question is there 
> are alot of environments which this can be done in (methane, methanol, 
> octane as well as a bilayer) anyone tried the environments for helical 
> tilts and found best/worse?? Finally, has anyone done this using a 
> monte carlo approach?
> As usual any help will be greatfully accepted.
> Cheers
> John
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