In the Voth Group, MSC is employed to examine two biologically relevant systems: (1) the embedded influenza A M2 proton channels in DMPC bilayers and (2) spectrin filaments. In (1), the embedded protein can now couple to long wave-length membrane undulations and deformations that were absent in the atomistic MD simulation. this long wavelength stress/strain coupling is believed to be linked to other membrane bound protein phenomena such as channel gating in mechanosensitive channels. With the influenza A M2 proton channel, MSC will allow for the study of the effect of long wave-length membrane bending modes on protein conformational changes during proton transport. In (2), MSC will allow the study of the actual precursors to spectrin rupture and the couplings to long wavelength phenomena, without resorting to "clipping" the spectrin filament from its periodic boundaries.

 

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