Particle-Based Simulation of Conductance of Solid-State Nanopores and Ion Channels

A three-dimensional numerical simulation technique based on Brownian Dynamics is presented for simulating ion currents flowing through ion channels and solid-state nanopores under various conditions. This implementation allows to perform simulations on the mu-seconds time scale in order to obtain information on the conductance of the simulated channels. Results regarding ion motion in bulk solution and concerning electrostatic calculation along channel axis for a catenary test pore are presented here. Furthermore, the calculated potential energy profiles and conductance of an open-state configuration of KcsA K⁺ channel of Streptomyces Lividans bacterium are presented.