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Biophys J, May 2000, p. 2364-2381, Vol. 78, No. 5
and
*Protein Dynamics Unit, Department of Chemistry, and
Department of Theoretical Physics, Research School of
Physical Sciences, Australian National University, Canberra, Australian
Capital Territory 0200, Australia
We test the validity of the mean-field approximation in
Poisson-Nernst-Planck theory by contrasting its predictions with
those of Brownian dynamics simulations in schematic cylindrical
channels and in a realistic potassium channel. Equivalence of the two
theories in bulk situations is demonstrated in a control study. In
simple cylindrical channels, considerable differences are found between the two theories with regard to the concentration profiles in the
channel and its conductance properties. These differences are at a
maximum in narrow channels with a radius smaller than the Debye length
and diminish with increasing radius. Convergence occurs when the
channel radius is over 2 Debye lengths. These tests unequivocally
demonstrate that the mean-field approximation in the
Poisson-Nernst-Planck theory breaks down in narrow ion channels that
have radii smaller than the Debye length.
Biophys J, May 2000, p. 2364-2381, Vol. 78, No. 5
© 2000 by the Biophysical Society 0006-3495/00/05/2364/18 $2.00
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