Abstract
In this work, a self-consistent Langevin dynamics-Poisson solver (LDPS) is used to model the ionic transport properties in ion channel systems. The charge transport behavior in the bulk electrolyte has been compared with the results of an analytic model. Within the LDPS framework, the molecular structure of both the protein and the lipid bilayer are explicitly accounted for, and the atomistic representation of the channel is embedded in the molecular structure of a patch of membrane, included in the computational domain.