Excluded volume effects in on- and off-lattice reaction–diffusion models

In this study, the authors therefore investigate to which extent on-lattice approximations, the so-called cellular automata models, can be used to simulate reactions and diffusion in the presence of crowding molecules. They show that the diffusion is most severely slowed down in the off-lattice model, since randomly distributed obstacles effectively exclude more volume than those ordered on an artificial grid. Crowded reaction rates can be both increased and decreased by the grid structure and it proves important to model the molecules with realistic sizes when excluded volume is taken into account. The grid artefacts increase with increasing crowder density and they conclude that the computationally more efficient on-lattice simulations are accurate approximations only for low crowder densities.
Source: IET Systems Biology - Category: Biology Source Type: research