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The analysis of complex reaction networks is of great importance in several chemical and biochemical fields (interstellar chemistry, prebiotic chemistry, reaction mechanism, etc). In this article, we propose to simultaneously refine and…

Molecular Networks · Quantitative Biology 2008-03-11 Raphaël Plasson , Hugues Bersini , Axel Brandenburg

Delays are an important phenomenon arising in a wide variety of real world systems. They occur in biological models because of diffusion effects or as simplifying modeling elements. We propose here to consider delayed stochastic reaction…

Optimization and Control · Mathematics 2020-04-27 Corentin Briat , Mustafa Khammash

The concept of limiting step gives the limit simplification: the whole network behaves as a single step. However, in its simplest form this idea is applicable only to the simplest linear cycles in steady states. For such the simplest cycles…

Chemical Physics · Physics 2008-06-23 A. N. Gorban , O. Radulescu

We report the first study of a network of connected enzyme-catalyzed reactions, with added chemical and enzymatic processes that incorporate the recently developed biochemical filtering steps into the functioning of this biocatalytic…

Molecular Networks · Quantitative Biology 2013-12-17 Vladimir Privman , Oleksandr Zavalov , Lenka Halamkova , Fiona Moseley , Jan Halamek , Evgeny Katz

This paper presents new results about the optimization based generation of chemical reaction networks (CRNs) of higher deficiency. Firstly, it is shown that the graph structure of the realization containing the maximal number of reactions…

Molecular Networks · Quantitative Biology 2011-03-23 Gabor Szederkenyi , Katalin M. Hangos , Tamas Peni

Key processes in biological and chemical systems are described by networks of chemical reactions. From molecular biology to biotechnology applications, computational models of reaction networks are used extensively to elucidate their…

Quantitative Methods · Quantitative Biology 2019-02-18 Pavel Loskot , Komlan Atitey , Lyudmila Mihaylova

We use series expansions to study dynamics of equilibrium and non-equilibrium systems on networks. This analytical method enables us to include detailed non-universal effects of the network structure. We show that even low order…

Disordered Systems and Neural Networks · Physics 2009-11-11 M. B. Hastings

External flows of energy, entropy, and matter can cause sudden transitions in the stability of biological and industrial systems, fundamentally altering their dynamical function. How might we control and design these transitions in chemical…

Molecular Networks · Quantitative Biology 2023-06-19 Zachary G. Nicolaou , Schuyler B. Nicholson , Adilson E. Motter , Jason R. Green

The multi-level method for discrete state systems, first introduced by Anderson and Higham [Multiscale Model. Simul. 10:146--179, 2012], is a highly efficient simulation technique that can be used to elucidate statistical characteristics of…

Quantitative Methods · Quantitative Biology 2016-09-06 Christopher Lester , Ruth E. Baker , Michael B. Giles , Christian A. Yates

Associated with a chemical reaction network is a natural labelled bipartite multigraph termed an SR graph, and its directed version, the DSR graph. These objects are closely related to Petri nets. The construction of SR and DSR graphs for…

Dynamical Systems · Mathematics 2010-07-22 Murad Banaji

We consider the problem of estimating the dynamic latent states of an intracellular multiscale stochastic reaction network from time-course measurements of fluorescent reporters. We first prove that accurate solutions to the filtering…

Methodology · Statistics 2020-09-09 Zhou Fang , Ankit Gupta , Mustafa Khammash

The dual phosphorylation network provides an essential component of intracellular signaling, affecting the expression of phenotypes and cell metabolism. For particular choices of kinetic parameters, this system exhibits multistationarity, a…

Optimization and Control · Mathematics 2024-09-25 May Cai , Matthias Himmelmann , Birte Ostermann

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…

Molecular Networks · Quantitative Biology 2011-07-18 Areejit Samal , Olivier C. Martin

The representation of a biochemical network as a graph is the coarsest level of description in cellular biochemistry. By studying the network structure one can draw conclusions on the large scale organisation of the biochemical processes.…

Molecular Networks · Quantitative Biology 2007-05-23 Petter Holme , Mikael Huss

Chemical reaction networks (CRNs) provide a convenient language for modelling a broad variety of biological systems. These models are commonly studied with respect to the time series they generate in deterministic or stochastic simulations.…

Molecular Networks · Quantitative Biology 2019-07-11 Ozan Kahramanoğulları

It has recently been shown that structural conditions on the reaction network, rather than a 'fine-tuning' of system parameters, often suffice to impart 'absolute concentration robustness' on a wide class of biologically relevant,…

Probability · Mathematics 2014-01-20 David F. Anderson , German Enciso , Matthew Johnston

The robustness of an ecological network quantifies the resilience of the ecosystem it represents to species loss. It corresponds to the proportion of species that are disconnected from the rest of the network when extinctions occur…

Populations and Evolution · Quantitative Biology 2021-11-25 Saint-Clair Chabert-Liddell , Pierre Barbillon , Sophie Donnet

The parameter region of multistationarity of a reaction network contains all the parameters for which the associated dynamical system exhibits multiple steady states. Describing this region is challenging and remains an active area of…

Molecular Networks · Quantitative Biology 2024-10-11 Nidhi Kaihnsa , Máté L. Telek

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…

Computational Engineering, Finance, and Science · Computer Science 2019-01-23 Nikhil Galagali , Youssef M. Marzouk

Simulating chemical reaction networks is often computationally demanding, in particular due to stiffness. We propose a novel simulation scheme where long runs are not simulated as a whole but assembled from shorter precomputed segments of…

Logic in Computer Science · Computer Science 2022-06-22 Martin Helfrich , Milan Češka , Jan Křetínský , Štefan Martiček