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dc.contributor.authorLipková, Jana
dc.contributor.authorZygalakis, Konstantinos C.
dc.contributor.authorChapman, S. Jonathan
dc.contributor.authorErban, Radek
dc.date.accessioned2016-02-25T12:41:54Z
dc.date.available2016-02-25T12:41:54Z
dc.date.issued2011-01
dc.identifier.citationLipková J, Zygalakis KC, Chapman SJ, Erban R (2011) Analysis of Brownian Dynamics Simulations of Reversible Bimolecular Reactions. SIAM Journal on Applied Mathematics 71: 714–730. Available: http://dx.doi.org/10.1137/100794213.
dc.identifier.issn0036-1399
dc.identifier.issn1095-712X
dc.identifier.doi10.1137/100794213
dc.identifier.urihttp://hdl.handle.net/10754/597551
dc.description.abstractA 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.
dc.description.sponsorshipReceived by the editors May 5, 2010; accepted for publication (in revised form) February 9, 2011; published electronically May 4, 2011. This publication is based on work (by J. Lipkova, K. Zygalakis, and R. Erban) supported by award KUK-C1-013-04, made by King Abdullah University of Science and Technology (KAUST). The research leading to these results has received funding from the European Research Council under the European Community's Seventh Framework Programme (FP7/2007-2013)/ ERC grant agreement 239870. R. Erban would also like to thank Somerville College, University of Oxford, for a Fulford Junior Research Fellowship.
dc.publisherSociety for Industrial & Applied Mathematics (SIAM)
dc.subjectBrownian dynamics
dc.subjectReaction-diffusion problems
dc.subjectReversible bimolecular reactions
dc.subjectStochastic simulation algorithms
dc.titleAnalysis of Brownian Dynamics Simulations of Reversible Bimolecular Reactions
dc.typeArticle
dc.identifier.journalSIAM Journal on Applied Mathematics
dc.contributor.institutionCharles University in Prague, Prague, Czech Republic
dc.contributor.institutionUniversity of Oxford, Oxford, United Kingdom
kaust.grant.numberKUK-C1-013-04


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