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SIAM J. Appl. Math. 71, pp. 714-730 (17 pages)

Analysis of Brownian Dynamics Simulations of Reversible Bimolecular Reactions

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

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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 $\lambda$–$\overline{\varrho}$ 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

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PUBLICATION DATA

ISSN

0036-1399 (print)  
1095-712X (online)

ARTICLE DATA

History
Received May 05, 2010
Accepted February 09, 2011
Published online May 04, 2011

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