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Model reduction methods are relevant when the computation time of a full convection-diffusion-reaction simulation based on detailed chemical reaction mechanisms is too large. In this article, we review a model reduction approach based on…

计算物理 · 物理学 2014-05-20 Dirk Lebiedz , Jochen Siehr

Background: Stochastic biochemical reaction networks are commonly modelled by the chemical master equation, and can be simulated as first order linear differential equations through a finite state projection. Due to the very high state…

定量方法 · 定量生物学 2012-07-10 Steffen Waldherr , Bernard Haasdonk

We discuss a method of approximate model reduction for networks of biochemical reactions. This method can be applied to networks with polynomial or rational reaction rates and whose parameters are given by their orders of magnitude. In…

分子网络 · 定量生物学 2015-05-27 Ovidiu Radulescu , Sergei Vakulenko , Dima Grigoriev

The paper has two goals: It presents basic ideas, notions, and methods for reduction of reaction kinetics models: quasi-steady-state, quasi-equilibrium, slow invariant manifolds, and limiting steps. It describes briefly the current state of…

化学物理 · 物理学 2022-05-17 A. N. Gorban

There exist several methods for simulating biological and physical systems as represented by chemical reaction networks. Systems with low numbers of particles are frequently modelled as discrete-state Markov jump processes and are typically…

定量方法 · 定量生物学 2022-10-24 Joshua C. Kynaston , Christian A Yates , Anna Hekkink , Chris Guiver

Stochastic models of chemical reaction networks are an important tool to describe and analyze noise effects in cell biology. When chemical species and reaction rates in a reaction system have different orders of magnitude, the associated…

概率论 · 数学 2020-09-15 German Enciso , Jinsu Kim

The dynamics of ecological as well as chemical systems may depend on heterogeneous configurations. Heterogeneity in reaction-diffusion systems often increase modelling and simulating difficulties when non-linear effects are present. One…

物理与社会 · 物理学 2019-08-27 Orlando Silva

We consider stochastic descriptions of chemical reaction networks in which there are both fast and slow reactions, and for which the time scales are widely separated. We develop a computational algorithm that produces the generator of the…

动力系统 · 数学 2015-12-11 Xingye Kan , Chang Hyeong Lee , Hans G. Othmer

We consider a Markov process in continuous time with a finite number of discrete states. The time-dependent probabilities of being in any state of the Markov chain are governed by a set of ordinary differential equations, whose dimension…

最优化与控制 · 数学 2014-10-31 Fernando Lopez-Caamal , Tatiana T. Marquez-Lago

Complex systems of intracellular biochemical reactions have a central role in regulating cell identities and functions. Biochemical reaction systems are typically studied using the language and tools of graph theory. However, graph…

组合数学 · 数学 2021-09-24 Raffaella Mulas , Rubén J. Sánchez-García , Ben D. MacArthur

Biochemical systems are inherently stochastic, particularly those with small-molecule populations. The spatial distribution of molecules plays a critical role and requires the inclusion of spatial coordinates in their analysis. Stochastic…

Biochemical networks are used in computational biology, to model the static and dynamical details of systems involved in cell signaling, metabolism, and regulation of gene expression. Parametric and structural uncertainty, as well as…

分子网络 · 定量生物学 2014-10-15 Ovidiu Radulescu , Alexander N. Gorban , Andrei Zinovyev , Vincent Noel

We develop a model-independent reduction method of chemical reaction systems based on the stoichiometry, which determines their network topology. A subnetwork can be eliminated systematically to give a reduced system with fewer degrees of…

分子网络 · 定量生物学 2021-11-25 Yuji Hirono , Takashi Okada , Hiroyasu Miyazaki , Yoshimasa Hidaka

Reaction networks are widely used models to describe biochemical processes. Stochastic fluctuations in the counts of biological macromolecules have amplified consequences due to their small population sizes. This makes it necessary to favor…

概率论 · 数学 2022-02-28 Daniele Cappelletti , Badal Joshi

Biochemical reaction networks frequently consist of species evolving on multiple timescales. Stochastic simulations of such networks are often computationally challenging and therefore various methods have been developed to obtain sensible…

分子网络 · 定量生物学 2017-04-20 Jae Kyoung Kim , Grzegorz A. Rempala , Hye-Won Kang

The adoption of detailed mechanisms for chemical kinetics often poses two types of severe challenges: First, the number of degrees of freedom is large; and second, the dynamics is characterized by widely disparate time scales. As a result,…

There are many mathematical models of biochemical cell signaling pathways that contain a large number of elements (species and reactions). This is sometimes a big issue for identifying critical model elements and describing the model…

分子网络 · 定量生物学 2021-09-15 Hemn Mohammed Rasool , Sarbaz H. A. Khoshnaw

Gaining insights from realistic dynamical models of biochemical systems can be challenging given their large number of state variables. Model reduction techniques can mitigate this by decreasing complexity by mapping the model onto a…

计算工程、金融与科学 · 计算机科学 2024-11-22 Alexander Leguizamon-Robayo , Antonio Jiménez-Pastor , Micro Tribastone , Max Tschaikowski , Andrea Vandin

Computational techniques are required for narrowing down the vast space of possibilities to plausible prebiotic scenarios, since precise information on the molecular composition, the dominant reaction chemistry, and the conditions for that…

分子网络 · 定量生物学 2018-02-07 Jakob L. Andersen , Christoph Flamm , Daniel Merkle , Peter F. Stadler

Based on the theory of stochastic chemical kinetics, the inherent randomness and stochasticity of biochemical reaction networks can be accurately described by discrete-state continuous-time Markov chains. The analysis of such processes is,…

数值分析 · 数学 2014-10-14 Andreychenko Alexander , Mikeev Linar , Wolf Verena
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