[gmx-users] Membrane protein tilt.
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.
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