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Poisson-Nernst-Planck (PNP) electrodiffusion theory
Electrodiffusion theory is a useful approach to describe the flow of
ions through aqueous channels. The PNP theory is based on a mean-field continuum electrostatic approximation.
The theory solves self-consistently for the non-equilibrium ion density (from Fick's law) and the electrostatic potential (from Poisson's equation).
It is valid only for fairly wide aqueous pores.
The results from three-dimensional (3d) PNP have been compared to those from the
GCMC/BD algorithm in the case of the OmpF porin from E. coli.
Download:
PNP program with examples and documentation
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