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For a single enzyme or molecular motor operating in an aqueous solution of non-equilibrated solute concentrations, a thermodynamic description is developed on the level of an individual trajectory of transitions between states. The concept…

Statistical Mechanics · Physics 2012-05-21 Udo Seifert

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,…

Subcellular Processes · Quantitative Biology 2013-12-02 Ramon Grima , Nils Walter , Santiago Schnell

A non-equilibrium steady state is characterized by a non-zero steady dissipation rate. Chemical reaction systems under suitable conditions may generate such states. We propose here a method that is able to distinguish states with identical…

Chemical Physics · Physics 2019-11-14 Kinshuk Banerjee , Kamal Bhattacharyya

A growing amount of evidence points to the fact that many enzymes exhibit fluctuations in their catalytic activity, which are associated with conformational changes on a broad range of timescales. The experimental study of this phenomenon,…

Quantitative Methods · Quantitative Biology 2017-07-28 Ankit Gupta , Andreas Milias-Argeitis , Mustafa Khammash

We investigate the potential of numerical algorithms to decipher the kinetic parameters involved in multi-step chemical reactions. To this end we study a dimerization kinetics of protein as a model system. We follow the dimerization…

Biological Physics · Physics 2014-12-24 Srijeeta Talukder , Shrabani Sen , Ralf Metzler , Suman K Banik , Pinaki Chaudhury

New advances in nano sciences open the door for scientists to study biological processes on a microscopic molecule-by-molecule basis. Recent single-molecule biophysical experiments on enzyme systems, in particular, reveal that enzyme…

Applications · Statistics 2012-09-28 Chao Du , S. C. Kou

We analyze the standard model of enzyme-catalyzed reactions at various substrate-enzyme ratios to identify the regions of validity of the quasi-steady-state approximation. Certain prevalent conditions are checked and compared against the…

Chemical Physics · Physics 2019-11-15 Sharmistha Dhatt , Kamal Bhattacharyya

In a stochastic reaction network setting we consider the problem of tracking the fate of individual molecules. We show that using the classical large volume limit results, we may approximate the dynamics of a single tracked molecule in a…

Probability · Mathematics 2023-01-05 Daniele Cappelletti , Grzegorz A. Rempala

Enzyme-catalysed reactions involve two distinct timescales. There is a short timescale on which enzymes bind to substrate molecules to produce bound complexes, and a comparatively long timescale on which the complex is transformed into a…

Quantitative Methods · Quantitative Biology 2023-10-06 Taylor Kearney , Mark B. Flegg

Scaling analysis exploiting timescale separation has been one of the most important techniques in the quantitative analysis of nonlinear dynamical systems in mathematical and theoretical biology. In the case of enzyme catalyzed reactions,…

Quantitative Methods · Quantitative Biology 2023-03-21 Justin Eilertsen , Wylie Stroberg , Santiago Schnell

The selection of an equilibrium state by maximising the entropy of a system, subject to certain constraints, is often powerfully motivated as an exercise in logical inference, a procedure where conclusions are reached on the basis of…

Statistical Mechanics · Physics 2015-12-03 Ian J. Ford

We investigate the nonequilibrium stationary states of systems consisting of chemical reactions among molecules of several chemical species. To this end we introduce and develop a stochastic formulation of nonequilibrium thermodynamics of…

Statistical Mechanics · Physics 2018-07-04 Tânia Tomé , Mário J. de Oliveira

Allosteric regulation is often viewed as thermodynamic in nature. However protein internal motions during an enzymatic reaction cycle can be slow hopping processes over numerous potential barriers. We propose that regulating molecules may…

Biological Physics · Physics 2009-11-13 Jianhua Xing

Heterogeneity in gene expression across isogenic cell populations can give rise to phenotypic diversity, even when cells are in homogenous environments. This diversity arises from the discrete, stochastic nature of biochemical reactions,…

Quantitative Methods · Quantitative Biology 2017-08-31 Zachary Fox , Brian Munsky

Nonequilibrium steady state of isothermal biochemical cycle kinetics has been extensively studied, but much less investigated under non-isothermal conditions. However, once the heat exchange between subsystems is rather slow, the isothermal…

Chemical Physics · Physics 2016-10-11 Xiao Jin , Hao Ge

The process of protein folding from an unfolded state to a biologically active, folded conformation is governed by many parameters e.g the sequence of amino acids, intermolecular interactions, the solvent, temperature and chaperon…

Soft Condensed Matter · Physics 2010-10-19 Pragya Shukla

We study the steady state of a stochastic particle system on a two-dimensional lattice, with particle influx, diffusion and desorption, and the formation of a dimer when particles meet. Surface processes are thermally activated, with…

Statistical Mechanics · Physics 2015-05-30 A. Wolff , I. Lohmar , J. Krug , O. Biham

The theory of biochemical processes needs simple but realistic models of phenomena underlying microscopic dynamics of proteins. Many experiments performed in the 1980s have demonstrated that within the protein native state, apart from usual…

Condensed Matter · Physics 2007-05-23 Michal Kurzynski

Translating metabolic networks into dynamic models is difficult if kinetic constants are unknown. Structural Kinetic Modelling (SKM) replaces reaction elasticities by independent random numbers. Here I propose a variant that accounts for…

Molecular Networks · Quantitative Biology 2022-03-08 Wolfram Liebermeister

This work extends the results of the recently developed theory of a rather complete thermodynamic formalism for discrete-state, continuous-time Markov processes with and without detailed balance. We aim at investigating the question that…

Statistical Mechanics · Physics 2011-05-30 Moises Santillan , Hong Qian
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