Some new approaches for simulating membrane bound proteins in lipid bilayers will be presented. Specifically, some aspects of
Multiscale Coupling will be elaborated on, where atomistic-level simulations of membrane bound proteins (such as the influenza A virus M2 proton channel) are directly coupled to corresponding field theory-based mesoscopic bilayer/viscous solvent simulations. The protein is observed to couple to the long-wavelength stress fields arising at the mesoscopic level, and small structural changes are indicated.
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