ANALYSIS OF BROWNIAN DYNAMICS SIMULATIONS OF REVERSIBLE BIMOLECULAR REACTIONS

作者：Lipkova Jana^*; Zygalakis Konstantinos C; Chapman S Jonathan; Erban Radek

来源：SIAM Journal on Applied Mathematics, 2011, 71(3): 714-730.

DOI：10.1137/100794213

• Brownian dynamics
• stochastic simulation algorithms
• reaction-diffusion problems
• reversible bimolecular reactions

A class of Brownian dynamics algorithms for stochastic reaction-diffusion models which include reversible bimolecular reactions is presented and analyzed. The method is a generalization of the lambda-(rho) over bar model for irreversible bimolecular reactions which was introduced in [R. Erban and S. J. Chapman, Phys. Biol., 6 (2009), 046001]. The formulae relating the experimentally measurable quantities (reaction rate constants and diffusion constants) with the algorithm parameters are derived. The probability of geminate recombination is also investigated.

• 出版日期2011