Side-Chain Dynamics Are Critical for Water Permeation through Aquaporin-1

Molecular dynamics simulations of aquaporin-1 embedded in a solvated lipid bilayer were carried out to investigate the mechanism of water permeation. The 2.2 Å resolution crystal structure of the bovine protein was used for five independent trajectories. During the equilibration and preparatory step...

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Bibliographic Details
Main Authors: Smolin, Nikolai, Li, Bin, Beck, David A. C., Daggett, Valerie
Format: Artigo
Language:Inglês
Published: The Biophysical Society 2008
Subjects:
Biophysical Theory and Modeling
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC2479601/
https://ncbi.nlm.nih.gov/pubmed/18441032
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.107.125187
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