Grand Canonical Monte Carlo - Brownian Dynamics algorithm


The flow of ions through channels can often be well-represented on the basis of Brownian motion. A novel computational algorithm based on Grand Canonical Monte Carlo (GCMC) and Brownian Dynamics (BD) has been developed to simulate the movement of ions in membrane channels. The proposed algorithm, GCMC/BD, allows the simulation of ion channels with a realistic implementation of boundary conditions of concentration and transmembrane potential.

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