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Selected-node stochastic simulation algorithm

Duso L.
•
Zechner C.
2018
  • journal article

Periodico
THE JOURNAL OF CHEMICAL PHYSICS
Abstract
Stochastic simulations of biochemical networks are of vital importance for understanding complex dynamics in cells and tissues. However, existing methods to perform such simulations are associated with computational difficulties and addressing those remains a daunting challenge to the present. Here we introduce the selected-node stochastic simulation algorithm (snSSA), which allows us to exclusively simulate an arbitrary, selected subset of molecular species of a possibly large and complex reaction network. The algorithm is based on an analytical elimination of chemical species, thereby avoiding explicit simulation of the associated chemical events. These species are instead described continuously in terms of statistical moments derived from a stochastic filtering equation, resulting in a substantial speedup when compared to Gillespie's stochastic simulation algorithm (SSA). Moreover, we show that statistics obtained via snSSA profit from a variance reduction, which can significantly lower the number of Monte Carlo samples needed to achieve a certain performance. We demonstrate the algorithm using several biological case studies for which the simulation time could be reduced by orders of magnitude.
DOI
10.1063/1.5021242
WOS
WOS:000431291900008
Archivio
https://hdl.handle.net/20.500.11767/145842
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85046142657
https://ricerca.unityfvg.it/handle/20.500.11767/145842
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