TY - JOUR
T1 - Analysis of Brownian Dynamics Simulations of Reversible Bimolecular Reactions
AU - Lipková, Jana
AU - Zygalakis, Konstantinos C.
AU - Chapman, S. Jonathan
AU - Erban, Radek
N1 - KAUST Repository Item: Exported on 2020-10-01
Acknowledged KAUST grant number(s): KUK-C1-013-04
Acknowledgements: Received 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.
This publication acknowledges KAUST support, but has no KAUST affiliated authors.
PY - 2011/1
Y1 - 2011/1
N2 - 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.
AB - 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.
UR - http://hdl.handle.net/10754/597551
UR - http://epubs.siam.org/doi/10.1137/100794213
UR - http://www.scopus.com/inward/record.url?scp=79960351109&partnerID=8YFLogxK
U2 - 10.1137/100794213
DO - 10.1137/100794213
M3 - Article
SN - 0036-1399
VL - 71
SP - 714
EP - 730
JO - SIAM Journal on Applied Mathematics
JF - SIAM Journal on Applied Mathematics
IS - 3
ER -