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.