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We study chemical reactions with complex mechanisms under two assumptions: (i) intermediates are present in small amounts (this is the quasi-steady-state hypothesis or QSS) and (ii) they are in equilibrium relations with substrates (this is…

化学物理 · 物理学 2014-04-15 A. N. Gorban , M. Shahzad

Focusing on isolated macroscopic systems, described either in terms of a quantum mechanical or a classical model, our two key questions are: In how far does an initial ensemble (usually far from equilibrium and largely unknown in detail)…

统计力学 · 物理学 2013-11-13 Peter Reimann , Mykhaylo Evstigneev

Stochastic network-dynamics are typically assumed to be memory-less. Involving prolonged dwells interrupted by instantaneous transitions between nodes such Markov networks stand as a coarse-graining paradigm for chemical reactions, gene…

统计力学 · 物理学 2021-12-15 David Hartich , Aljaž Godec

We demonstrate that the Michaelis-Menten reaction mechanism can be accurately approximated by a linear system when the initial substrate concentration is low. This leads to pseudo-first-order kinetics, simplifying mathematical calculations…

动力系统 · 数学 2024-03-11 Justin Eilertsen , Santiago Schnell , Sebastian Walcher

Based on a rigorous extension of classical statistical mechanics to networks, we study a specific microscopic network Hamiltonian. The form of this Hamiltonian is derived from the assumption that individual nodes increase/decrease their…

统计力学 · 物理学 2015-06-25 Christoly Biely , Stefan Thurner

Nonequilibrium thermodynamics (NET) investigates processes in systems out of global equilibrium. On a mesoscopic level, it provides a statistical dynamic description of various complex phenomena such as chemical reactions, ion transport,…

统计力学 · 物理学 2016-04-20 Hong Qian , Signe Kjelstrup , Anatoly B. Kolomeisky , Dick Bedeaux

Key insights in molecular biology, such as enzyme kinetics, protein allostery and gene regulation emerged from quantitative analysis based on time-scale separation, allowing internal complexity to be eliminated and resulting in the…

分子网络 · 定量生物学 2011-09-29 Jeremy Gunawardena

A crisp survey is given of chemical reaction networks from the perspective of general nonlinear network dynamics, in particular of consensus dynamics. It is shown how by starting from the complex-balanced assumption the reaction dynamics…

动力系统 · 数学 2015-02-10 Arjan van der Schaft , Shodhan Rao , Bayu Jayawardhana

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

Despite their topological complexity almost all functional properties of metabolic networks can be derived from steady-state dynamics. Indeed, many theoretical investigations (like flux-balance analysis) rely on extracting function from…

分子网络 · 定量生物学 2009-11-13 Carsten Marr , Mark Mueller-Linow , Marc-Thorsten Huett

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

We consider a stochastic model of the Michaelis-Menten (MM) enzyme kinetic reactions in terms of Stochastic Differential Equations (SDEs) driven by Poisson Random Measures (PRMs). It has been argued that among various Quasi-Steady State…

概率论 · 数学 2025-12-04 Arnab Ganguly , Wasiur R. KhudaBukhsh

The stochastic dynamics of biochemical networks are usually modelled with the chemical master equation (CME). The stationary distributions of CMEs are seldom solvable analytically, and numerical methods typically produce estimates with…

概率论 · 数学 2019-10-30 Juan Kuntz , Philipp Thomas , Guy-Bart Stan , Mauricio Barahona

Many biological activities are induced by cellular chemical reactions of diffusing reactants. The dynamics of such systems can be captured by stochastic reaction networks. A recent numerical study has shown that diffusion can significantly…

生物物理 · 物理学 2019-01-18 Tan Van Vu , Yoshihiko Hasegawa

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,…

概率论 · 数学 2014-01-20 David F. Anderson , German Enciso , Matthew Johnston

We develop the stochastic approach to thermodynamics based on the stochastic dynamics, which can be discrete (master equation) continuous (Fokker-Planck equation), and on two assumptions concerning entropy. The first is the definition of…

统计力学 · 物理学 2015-06-11 Tânia Tomé , Mário J. de Oliveira

The time elapsed model describes the firing activity of an homogeneous assembly of neurons thanks to the distribution of times elapsed since the last discharge. It gives a mathematical description of the probability density of neurons…

偏微分方程分析 · 数学 2011-09-16 Khashayar Pakdaman , Benoît Perthame , Delphine Salort

Many chemical reactions in biological cells occur at very low concentrations of constituent molecules. Thus, transcriptional gene-regulation is often controlled by poorly expressed transcription-factors, such as E.coli lac repressor with…

定量方法 · 定量生物学 2016-09-27 O. Pulkkinen , R. Metzler

In the past one hundred years, deterministic rate equations have been successfully used to infer enzyme-catalysed reaction mechanisms and to estimate rate constants from reaction kinetics experiments conducted in vitro. In recent years,…

亚细胞过程 · 定量生物学 2013-12-02 Ramon Grima , Nils Walter , Santiago Schnell

We distinguish a mechanical representation of the world in terms of point masses with positions and momenta and the chemical representation of the world in terms of populations of different individuals, each with intrinsic stochasticity,…

统计力学 · 物理学 2019-05-07 Hong Qian