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Ion fluxes through nanopores and transmembrane channels
Physical Review E
We introduce an implicit solvent Molecular Dynamics approach for calculating ionic fluxes through narrow nanopores and transmembrane channels. The method relies on a dual-control-volume grand-canonical molecular dynamics (DCV-GCMD) simulation and the analytical solution for the electrostatic potential inside a cylindrical nanopore recently obtained by Levin [Europhys. Lett. 76, 163 (2006)]. The theory is used to calculate the ionic fluxes through an artificial transmembrane channel which mimicsdoi:10.1103/physreve.85.031914 pmid:22587130 fatcat:awvzmsahozcbfblpkvwwhefbya