Analysis of Brownian Dynamics Simulations of Reversible Bimolecular Reactions

Jana Lipková, Konstantinos C. Zygalakis, S. Jonathan Chapman, Radek Erban

Research output: Contribution to journalArticlepeer-review

51 Scopus citations

Abstract

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 λ-bcȳ 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. © 2011 Society for Industrial and Applied Mathematics.
Original languageEnglish (US)
Pages (from-to)714-730
Number of pages17
JournalSIAM Journal on Applied Mathematics
Volume71
Issue number3
DOIs
StatePublished - Jan 2011
Externally publishedYes

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