Proton transport behavior through the influenza A M2 channel: insights from molecular simulation.

@article{Chen2007ProtonTB,
  title={Proton transport behavior through the influenza A M2 channel: insights from molecular simulation.},
  author={Hanning Chen and Yujie Wu and Gregory A. Voth},
  journal={Biophysical journal},
  year={2007},
  volume={93 10},
  pages={3470-9}
}
The structural properties of the influenza A virus M2 transmembrane channel in dimyristoylphosphatidylcholine bilayer for each of the four protonation states of the proton-gating His-37 tetrad and their effects on proton transport for this low-pH activated, highly proton-selective channel are studied by classical molecular dynamics with the multistate empirical valence-bond (MS-EVB) methodology. The excess proton permeation free energy profile and maximum ion conductance calculated from the MS… CONTINUE READING

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