Grand canonical diffusion-influenced reactions: A stochastic theory with applications to multiscale reaction-diffusion simulations

Multiscale reaction-diffusion simulations with Smoldyn

UNLABELLED Smoldyn is a software package for stochastic modelling of spatial biochemical networks and intracellular systems. It was originally developed with an accurate off-lattice particle-based model at its core. This has recently been enhanced with the addition of a computationally efficient on-lattice model, which can be run stand-alone or coupled together for multiscale simulations using ...

A practical guide to stochastic simulations of reaction-diffusion processes

Abstract. A practical introduction to stochastic modelling of reaction-diffusion processes is presented. No prior knowledge of stochastic simulations is assumed. The methods are explained using illustrative examples. The article starts with the classical Gillespie algorithm for the stochastic modelling of chemical reactions. Then stochastic algorithms for modelling molecular diffusion are given...

Reaction-Diffusion equations with applications

Stochastic modelling of reaction-diffusion processes: algorithms for bimolecular reactions.

Several stochastic simulation algorithms (SSAs) have recently been proposed for modelling reaction-diffusion processes in cellular and molecular biology. In this paper, two commonly used SSAs are studied. The first SSA is an on-lattice model described by the reaction-diffusion master equation. The second SSA is an off-lattice model based on the simulation of Brownian motion of individual molecu...

Computational methods for diffusion-influenced biochemical reactions

MOTIVATION We compare stochastic computational methods accounting for space and discrete nature of reactants in biochemical systems. Implementations based on Brownian dynamics (BD) and the reaction-diffusion master equation are applied to a simplified gene expression model and to a signal transduction pathway in Escherichia coli. RESULTS In the regime where the number of molecules is small an...