Collective Diffusion Model for Water Permeation through Microscopic Channels

Fangqiang Zhu, Emad Tajkhorshid, and Klaus Schulten
Phys. Rev. Lett. 93, 224501 – Published 24 November 2004

Abstract

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.

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  • Received 1 April 2004

DOI:https://doi.org/10.1103/PhysRevLett.93.224501

©2004 American Physical Society

Authors & Affiliations

Fangqiang Zhu, Emad Tajkhorshid, and Klaus Schulten

  • Theoretical and Computational Biophysics Group, Beckman Institute, University of Illinois at Urbana-Champaign, 405 N. Mathews, Urbana, Illinois 61801, USA

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Issue

Vol. 93, Iss. 22 — 26 November 2004

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