[Dock-fans] Model of lipid bilayer for docking

[Francesco Pietra]

I have raised a discussion on the tools available for building lipid bilayers.

In that context I suppose that phosphatidylcholine- or
polyenylphosphatidylcholine-based bilayers are computationally very costly.
Under the presumption that octane-water models of  lipid bilayer involve much
less computational cost, are they a promising initial route in the exploration
if there is any docking at all with complicated - non polymeric - potential
ligands? Also, are there examples of docking using more advanced models of
lipid bilayer?

Separately I have asked is complex bilayers built with VMD are transferable to
the Amber-Dock-Chimera world.

Thanks
francesco pietra 


       
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