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We consider the problem of inferring the probability distribution of flux configurations in metabolic network models from empirical flux data. For the simple case in which experimental averages are to be retrieved, data are described by a…

Molecular Networks · Quantitative Biology 2017-04-27 Daniele De Martino , Andrea De Martino

Ecosystems frequently display the coexistence of diverse species under resource competition, typically resulting in skewed distributions of rarity and abundance. A potential driver of such coexistence is environmental fluctuations that…

Populations and Evolution · Quantitative Biology 2025-08-07 Davide Zanchetta , Deepak Gupta , Sofia Moschin , Samir Suweis , Amos Maritan , Sandro Azaele

The principle of maximum entropy provides a useful method for inferring statistical mechanics models from observations in correlated systems, and is widely used in a variety of fields where accurate data are available. While the assumptions…

Neurons and Cognition · Quantitative Biology 2017-06-02 Ulisse Ferrari , Tomoyuki Obuchi , Thierry Mora

Biotechnology offers many opportunities for the sustainable manufacturing of valuable products. The toolbox to optimize bioprocesses includes \textit{extracellular} process elements such as the bioreactor design and mode of operation,…

Systems and Control · Electrical Eng. & Systems 2023-02-07 Sebastián Espinel-Ríos , Bruno Morabito , Johannes Pohlodek , Katja Bettenbrock , Steffen Klamt , Rolf Findeisen

We propose to model the dynamics of metabolic networks from a systems biology point of view by four dynamical structure elements: potential function, transverse matrix, degradation matrix, and stochastic force. These four elements are…

Molecular Networks · Quantitative Biology 2007-05-23 P. Ao

The principle of maximum entropy is a broadly applicable technique for computing a distribution with the least amount of information possible constrained to match empirical data, for instance, feature expectations. We seek to generalize…

Information Theory · Computer Science 2022-05-30 Kenneth Bogert

Understanding the organization of reaction fluxes in cellular metabolism from the stoichiometry and the topology of the underlying biochemical network is a central issue in systems biology. In this task, it is important to devise reasonable…

Molecular Networks · Quantitative Biology 2009-11-13 C. Martelli , A. De Martino , E. Marinari , M. Marsili , I. Perez Castillo

Maximum entropy models provide the least constrained probability distributions that reproduce statistical properties of experimental datasets. In this work we characterize the learning dynamics that maximizes the log-likelihood in the case…

Disordered Systems and Neural Networks · Physics 2016-09-21 Ulisse Ferrari

In most data-scientific approaches, the principle of Maximum Entropy (MaxEnt) is used to a posteriori justify some parametric model which has been already chosen based on experience, prior knowledge or computational simplicity. In a…

Methodology · Statistics 2022-06-29 Orestis Loukas , Ho Ryun Chung

Metabolic heterogeneity is widely recognised as the next challenge in our understanding of non-genetic variation. A growing body of evidence suggests that metabolic heterogeneity may result from the inherent stochasticity of intracellular…

Molecular Networks · Quantitative Biology 2020-10-08 Mona K Tonn , Philipp Thomas , Mauricio Barahona , Diego A Oyarzún

A fundamental goal of microbial ecology is to understand what determines the diversity, stability, and structure of microbial ecosystems. The microbial context poses special conceptual challenges because of the strong mutual influences…

Biological Physics · Physics 2019-03-06 Robert Marsland , Wenping Cui , Joshua Goldford , Alvaro Sanchez , Kirill Korolev , Pankaj Mehta

Which properties of metabolic networks can be derived solely from stoichiometric information about the network's constituent reactions? Predictive results have been obtained by Flux Balance Analysis (FBA), by postulating that cells set…

Molecular Networks · Quantitative Biology 2018-09-05 Daniele De Martino , Anna MC Andersson , Tobias Bergmiller , Călin C Guet , Gašper Tkačik

Biomolecular machines consume free energy to break symmetry and make directed progress. Nonequilibrium ATP concentrations are the typical free energy source, with one cycle of a molecular machine consuming a certain number of ATP, providing…

Statistical Mechanics · Physics 2017-10-23 Aidan I Brown , David A Sivak

Deciphering the control principles of metabolism and its interaction with other cellular functions is central to biomedicine and biotechnology. Yet, understanding the efficient control of metabolic fluxes remains elusive for large-scale…

Molecular Networks · Quantitative Biology 2015-09-04 Georg Basler , Zoran Nikoloski , Abdelhalim Larhlimi , Albert-László Barabási , Yang-Yu Liu

The metabolic network plays a crucial role in regulating bacterial metabolism and growth, but it is subject to inherent molecular stochasticity. Previous studies have utilized flux balance analysis and the maximum entropy method to predict…

Molecular Networks · Quantitative Biology 2024-01-12 Shaohua Guan , Zhichao Zhang , Zihan Zhang , Hualin Shi

We derive a new method to infer from data the out-of-equilibrium alignment dynamics of collectively moving animal groups, by considering the maximum entropy distribution consistent with temporal and spatial correlations of flight direction.…

Living systems often function with regulatory interactions, but the question of how activity, stochasticity and regulations work together for achieving different goals still remains puzzling. We propose a stochastic model of an active…

Soft Condensed Matter · Physics 2026-03-02 Tai Han , Fanlong Meng

Metabolic fluxes in cells are governed by physical, physiological, and economic principles. Here I assume an optimal allocation of enzyme resources and postulate a general principle for metabolism: each enzyme must convert less valuable…

Molecular Networks · Quantitative Biology 2022-10-06 Wolfram Liebermeister

Molecular dynamics (MD) simulations allow investigating the structural dynamics of biomolecular systems with unrivaled time and space resolution. However, in order to compensate for the inaccuracies of the utilized empirical force fields,…

Computational Physics · Physics 2018-02-12 Andrea Cesari , Sabine Reißer , Giovanni Bussi

Experimental and empirical observations on cell metabolism cannot be understood as a whole without their integration into a consistent systematic framework. However, the characterization of metabolic flux phenotypes is typically reduced to…

Molecular Networks · Quantitative Biology 2015-09-03 Oriol Güell , Francesco Alessandro Massucci , Francesc Font-Clos , Francesc Sagués , M. Ángeles Serrano