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Autocatalytic chemical networks play a predominant role in a large number of natural systems such as in metabolic pathways and in ecological networks. Despite recent efforts, the precise impact of thermodynamic constraints on these networks…

化学物理 · 物理学 2024-06-14 Armand Despons , Yannick de Decker , David Lacoste

Chemical reaction networks describe interactions between biochemical species. Once an underlying reaction network is given for a biochemical system, the system dynamics can be modelled with various mathematical frameworks such as continuous…

概率论 · 数学 2023-06-22 German Enciso , Radek Erban , Jinsu Kim

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

Network models are widely used as structural summaries of biochemical systems. Statistical estimation of networks is usually based on linear or discrete models. However, the dynamics of these systems are generally nonlinear, suggesting that…

应用统计 · 统计学 2014-06-03 C. J. Oates , F. Dondelinger , N. Bayani , J. Korola , J. W. Gray , S. Mukherjee

The analysis of non-equilibrium steady states of biochemical reaction networks relies on finding the configurations of fluxes and chemical potentials satisfying stoichiometric (mass balance) and thermodynamic (energy balance) constraints.…

分子网络 · 定量生物学 2011-07-13 Daniele De Martino , Matteo Figliuzzi , Andrea De Martino , Enzo Marinari

Networks coming from protein-protein interactions, transcriptional regulation, signaling, or metabolism may appear to have "unusual" properties. To quantify this, it is appropriate to randomize the network and test the hypothesis that the…

分子网络 · 定量生物学 2011-07-18 Areejit Samal , Olivier C. Martin

Accurately determining and classifying the structure of complex networks is the focus of much current research. One class of network of particular interest are metabolic pathways, which have previously been studied from a graph theoretical…

数学物理 · 物理学 2012-10-10 Henry Dorrian , Kieran Smallbone , Jon borresen

In this paper, we propose a new method to identify biochemical reaction networks (i.e. both reactions and kinetic parameters) from heterogeneous datasets. Such datasets can contain (a) data from several replicates of an experiment performed…

系统与控制 · 计算机科学 2015-09-21 Wei Pan , Ye Yuan , Lennart Ljung , Jorge Goncalves , Guy-Bart Stan

Under suitable assumptions, the dynamic behaviour of a chemical reaction network is governed by an autonomous set of polynomial ordinary differential equations over continuous variables representing the concentrations of the reactant…

动力系统 · 数学 2014-07-15 Matthew D. Johnston , David Siegel

A stochastic model for a chemical reaction network is embedded in a one-parameter family of models with species numbers and rate constants scaled by powers of the parameter. A systematic approach is developed for determining appropriate…

概率论 · 数学 2010-11-09 Hye-Won Kang , Thomas G. Kurtz

In living cells, chemical reactions are connected by sharing their products and substrates, and form complex networks, e.g. metabolic pathways. Here we developed a theory to predict the sensitivity, i.e. the responses of concentrations and…

分子网络 · 定量生物学 2016-08-24 Takashi Okada , Atsushi Mochizuki

In a recent paper it was shown that, for chemical reaction networks possessing a subtle structural property called concordance, dynamical behavior of a very circumscribed (and largely stable) kind is enforced, so long as the kinetics lies…

分子网络 · 定量生物学 2012-04-26 Guy Shinar , Martin Feinberg

The modern thermodynamics of discrete systems is based on graph theory, which provides both algebraic methods to define observables and a geometric intuition of their meaning and role. However, because chemical reactions are usually…

统计力学 · 物理学 2023-04-04 Sara Dal Cengio , Vivien Lecomte , Matteo Polettini

To what extent do the characteristic features of a chemical reaction network reflect its purpose and function? In general, one argues that correlations between specific features and specific functions are key to understanding a complex…

统计力学 · 物理学 2012-03-22 Sang Hoon Lee , Sebastian Bernhardsson , Petter Holme , Beom Jun Kim , Petter Minnhagen

A detailed understanding of biochemical networks at the molecular level is essential for studying complex cellular processes. In this paper, we provide a comprehensive description of biochemical networks by considering individual atoms and…

分子网络 · 定量生物学 2025-04-08 Hadjar Rahou , Hulda S. Haraldsdottir , Filippo Martinelli , Ines Thiele , Ronan M. T. Fleming

This paper is concerned with the dynamical properties of deterministically modeled chemical reaction systems with mass-action kinetics. Such models are ubiquitously found in chemistry, population biology, and the burgeoning field of systems…

动力系统 · 数学 2011-06-20 David F. Anderson

Biochemical reaction networks are widely applied across scientific disciplines to model complex dynamic systems. We investigate the diffusion approximation of reaction networks with mass-action kinetics, focusing on the identifiability of…

概率论 · 数学 2026-04-29 Louis Faul , Linard Hoessly , Panqiu Xia

The automated inference of physically interpretable (bio)chemical reaction network models from measured experimental data is a challenging problem whose solution has significant commercial and academic ramifications. It is demonstrated,…

神经与进化计算 · 计算机科学 2014-12-22 Dominic P. Searson , Mark J. Willis , Allen Wright

The development of chemical reaction models aids understanding and prediction in areas ranging from biology to electrochemistry and combustion. A systematic approach to building reaction network models uses observational data not only to…

计算工程、金融与科学 · 计算机科学 2019-01-23 Nikhil Galagali , Youssef M. Marzouk

Motivated by recent progress on the interplay between graph theory, dynamics, and systems theory, we revisit the analysis of chemical reaction networks described by mass action kinetics. For reaction networks possessing a thermodynamic…

最优化与控制 · 数学 2012-06-19 Arjan van der Schaft , Shodhan Rao , Bayu Jayawardhana
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