[gmx-users] Membrane protein tilt.

John Simms JXS818 at bham.ac.uk
Wed Jun 2 11:46:21 CEST 2004

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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