Collective diffusion model for water permeation through microscopic channels.
Water permeation through nanometric channels, generally a coupled many-body process, is described in this study by a single collective coordinate. A collective diffusion model is proposed in which water movement at equilibrium is characterized as an unbiased diffusion along this coordinate and water transport in the presence of a chemical potential difference is described as one-dimensional diffusion in a linear potential. The model allows one to determine the osmotic permeability of a water channel from equilibrium simulations.
Zhu
Fangqiang
F
Theoretical and Computational Biophysics Group, Beckman Institute, University of Illinois at Urbana-Champaign, 405 N. Mathews, Urbana, Illinois 61801, USA.
Tajkhorshid
Emad
E
Schulten
Klaus
K
D020346:Aquaporins / Q000737:chemistry* / Q000502:physiology*; D001692:Biological Transport / Q000502:physiology; D002463:Cell Membrane Permeability / Q000502:physiology*; D003198:Computer Simulation; D004058:Diffusion; D015640:Ion Channel Gating / Q000502:physiology; D008954:Models, Biological; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D014867:Water / Q000737:chemistry* / Q000378:metabolism*
D020346:Aquaporins; D014867:Water