Molecular Dynamics study of water and sodium
ions in models of the pore region of the
Nicotinic Acetylcholine Receptor
Graham R. Smith & Mark S. P. Sansom.
Laboratory of Molecular Biophysics,
Rex Richards Building,
University of Oxford,
South Parks Road,
Oxford,
OX1 3QU.
email: graham@biop.ox.ac.uk
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The closed-state model
The open-state model
Mobility of water in the pore
Flux of water within the pore
Water density and hydrogen bonding
Water dipole moment
Energetics of ion permeation
Conclusions
This work corresponds roughly to the following paper:
Smith, G.R. and Sansom, M.S.P. (1997) Molecular dynamics study of
water and Na+ ions in the pore region of the nicotinic acetylcholine
receptor. Biophys. J., Vol.73, No.3, pp.1364-1381, 1997
last updated 10/3/98
Introduction and methods