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

页码：714 / 730

页数：17

共 35 条

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