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© Inria / Photo C. Morel
Quantitative biology: numbers and fluorescent cells. InBio team (Inria/Institut Pasteur)
Publication : PLoS Computational Biology

Beyond the chemical master equation: Stochastic chemical kinetics coupled with auxiliary processes

Scientific Fields
Diseases
Organisms
Applications
Technique

Published in PLoS Computational Biology - 01 Jul 2021

Lunz D, Batt G, Ruess J, Bonnans JF

Link to Pubmed [PMID] – 34319979

Link to DOI – 10.1371/journal.pcbi.1009214

PLoS Comput Biol 2021 07; 17(7): e1009214

The chemical master equation and its continuum approximations are indispensable tools in the modeling of chemical reaction networks. These are routinely used to capture complex nonlinear phenomena such as multimodality as well as transient events such as first-passage times, that accurately characterise a plethora of biological and chemical processes. However, some mechanisms, such as heterogeneous cellular growth or phenotypic selection at the population level, cannot be represented by the master equation and thus have been tackled separately. In this work, we propose a unifying framework that augments the chemical master equation to capture such auxiliary dynamics, and we develop and analyse a numerical solver that accurately simulates the system dynamics. We showcase these contributions by casting a diverse array of examples from the literature within this framework and applying the solver to both match and extend previous studies. Analytical calculations performed for each example validate our numerical results and benchmark the solver implementation.

https://pubmed.ncbi.nlm.nih.gov/34319979