Water and Deuterium Oxide Permeability through Aquaporin 1: MD Predictions and Experimental Verification

@article{Mamonov2007WaterAD,
  title={Water and Deuterium Oxide Permeability through Aquaporin 1: MD Predictions and Experimental Verification},
  author={Artem B. Mamonov and Rob D. Coalson and Mark Lawrence Zeidel and John C. Mathai},
  journal={The Journal of General Physiology},
  year={2007},
  volume={130},
  pages={111 - 116}
}
Determining the mechanisms of flux through protein channels requires a combination of structural data, permeability measurement, and molecular dynamics (MD) simulations. To further clarify the mechanism of flux through aquaporin 1 (AQP1), osmotic p(f) (cm(3)/s/pore) and diffusion p(d) (cm(3)/s/pore) permeability coefficients per pore of H(2)O and D(2)O in AQP1 were calculated using MD simulations. We then compared the simulation results with experimental measurements of the osmotic AQP1… CONTINUE READING
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