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PMID: 15601094 Published · ppublish English Evaluation Study Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, P.H.S. Validation Study

Collective diffusion model for water permeation through microscopic channels.

Physical review letters ·Vol. 93 ·No. 22 ·2004-11-26 ·Pages 224501

Zhu F, Tajkhorshid E, Schulten K

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.

MeSH Terms
Aquaporins/chemistry,physiology Biological Transport/physiology Cell Membrane Permeability/physiology Computer Simulation Diffusion Ion Channel Gating/physiology Models, Biological Models, Chemical Models, Molecular Molecular Conformation Water/chemistry,metabolism
Chemicals
Aquaporins Water
Authors & Affiliations
3 authors, click to expand affiliations / ORCID
Zhu Fangqiang
Theoretical and Computational Biophysics Group, Beckman Institute, University of Illinois at Urbana-Champaign, 405 N. Mathews, Urbana, Illinois 61801, USA.
Tajkhorshid Emad
Schulten Klaus
Article Info
Journal
Physical review letters
Abbr.
Phys Rev Lett
ISSN
0031-9007
Published
2004-11-26
Epub
2004-00-24
Pages
224501
Language
English
Region
United States
NLM ID
0401141
Subset
IM
Grants
NIGMS NIH HHS · 1 R01 GM067887-01 · United States
NCRR NIH HHS · P41-RR05969 · United States
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