ANALYSIS OF BROWNIAN DYNAMICS SIMULATIONS OF REVERSIBLE BIMOLECULAR REACTIONS

被引：58
|
作者：
Lipkova, Jana [1 ]
Zygalakis, Konstantinos C. [2 ]
Chapman, S. Jonathan [2 ]
Erban, Radek [2 ]
机构：
[1] Charles Univ Prague, Fac Math & Phys, Prague 18675 8, Czech Republic
[2] Univ Oxford, Inst Math, Oxford OX1 3LB, England
来源：
SIAM JOURNAL ON APPLIED MATHEMATICS | 2011年 / 71卷 / 03期
基金：
欧洲研究理事会;
关键词：
Brownian dynamics; stochastic simulation algorithms; reaction-diffusion problems; reversible bimolecular reactions; STOCHASTIC SIMULATION; DIFFUSION; MOLECULE; KINETICS;
D O I：
10.1137/100794213
中图分类号：
O29 [应用数学];
学科分类号：
070104 ;
摘要：
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.
引用
收藏
页码：714 / 730
页数：17
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