The Mathematical Institute, University of Oxford, Eprints Archive

Analysis of Brownian dynamics simulations of reversible biomolecular reactions

Lipkova, J. and Zygalakis, K. C. and Chapman, S. J. and Erban, R. (2010) Analysis of Brownian dynamics simulations of reversible biomolecular reactions. SIAM Journal on Applied Mathematics . ISSN 1095-712X (Submitted)

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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-rho model for irreversible bimolecular reactions which was introduced in [11]. 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.

Item Type:Article
Subjects:D - G > General
Research Groups:Oxford Centre for Collaborative Applied Mathematics
ID Code:985
Deposited By:Peter Hudston
Deposited On:26 Oct 2010 10:27
Last Modified:09 Feb 2012 16:01

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