title: Multiparticle collision dynamics for diffusion-influenced signaling pathways.
abstract: An efficient yet accurate simulation method for modeling diffusion-influenced reaction networks is presented. The method extends existing reactive multiparticle collision dynamics by incorporating species-dependent diffusion coefficients, and developing theoretical expressions for the reactant-dependent diffusion control. This off-lattice particle-based mesoscopic simulation tool is particularly suited for problems in which detailed descriptions of particle trajectories and local reactions are required. Numerical simulations of an intracellular signaling pathway for bacterial chemotaxis are carried out to validate our approach, and to demonstrate its efficiency.
authors.affiliation: Department of Mathematics, Ryerson University, 350 Victoria Street, Toronto, ON, M5B 2K3, Canada.
authors.forename: R
authors.initials: R
authors.lastname: Strehl
authors.forename: K
authors.initials: K
authors.lastname: Rohlf
mesh_terms: D004926:Escherichia coli / Q000737:chemistry*; D008956:Models, Chemical; D056004:Molecular Dynamics Simulation; D015398:Signal Transduction