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This paper serves as a framework for designing advanced models for drug action on metabolism. Drug treatment may affect metabolism by either enhancing or inhibiting metabolic reactions comprising a metabolic network. We introduce the…

Molecular Networks · Quantitative Biology 2020-03-30 Sean T. McQuade , Nathaniel J. Merrill , Benedetto Piccoli

Despite the significant progress made in recent years, the computation of the complete set of elementary flux modes of large or even genome-scale metabolic networks is still impossible. We introduce a novel approach to speed up the…

Molecular Networks · Quantitative Biology 2012-08-10 Christian Jungreuthmayer , David E. Ruckerbauer , Jürgen Zanghellini

Complex networks have been shown to be robust against random structural perturbations, but vulnerable against targeted attacks. Robustness analysis usually simulates the removal of individual or sets of nodes, followed by the assessment of…

Molecular Networks · Quantitative Biology 2012-11-13 Oriol Güell , Francesc Sagués , Georg Basler , Zoran Nikoloski , M. Ángeles Serrano

In this paper we study the evolution of the mutation rate for simple organisms in dynamic environments. A model with multiple fitness coding loci tracking a moving fitness peak is developed and an analytical expression for the optimal…

Biological Physics · Physics 2007-05-23 Martin Nilsson , Nigel Snoad

There are several applications in computational biophysics which require the optimization of discrete interacting states; e.g., amino acid titration states, ligand oxidation states, or discrete rotamer angles. Such optimization can be very…

Biomolecules · Quantitative Biology 2016-05-17 Emilie Purvine , Kyle Monson , Elizabeth Jurrus , Keith Star , Nathan A. Baker

Genome-scale metabolic models (GEMs) are essential tools for systems biology and rational chassis design, but conventional top-down reconstruction depends heavily on sequence homology and often leaves unknown enzymes and metabolic dark…

Quantitative Methods · Quantitative Biology 2026-05-15 Weiyu Xiao , Jiangbin Zheng , Stan Z. Li

We study an optimal control problem arising from a resource allocation problem in cellular metabolism. A minimalistic model that describes the production of enzymatic vs. non-enzymatic biomass components from a single nutrient source is…

Optimization and Control · Mathematics 2017-04-10 Steffen Waldherr , Henning Lindhorst

Constraint-based flux balance analysis (FBA) has proven successful in predicting the flux distribution of metabolic networks in diverse environmental conditions. FBA finds one of the alternate optimal solutions that maximizes the biomass…

Molecular Networks · Quantitative Biology 2009-05-19 Areejit Samal

Although there is a rapidly growing literature on dynamic connectivity methods, the primary focus has been on separate network estimation for each individual, which fails to leverage common patterns of information. We propose novel…

Methodology · Statistics 2021-01-15 Suprateek Kundu , Jin Ming , Joe Nocera , Keith M. McGregor

Dynamic Optimization Problems (DOPs) are challenging to address due to their complex nature, i.e., dynamic environment variation. Evolutionary Computation methods are generally advantaged in solving DOPs since they resemble dynamic…

Neural and Evolutionary Computing · Computer Science 2026-02-02 Zijian Gao , Yuanting Zhong , Zeyuan Ma , Yue-Jiao Gong , Hongshu Guo

Discrete dynamic models are a powerful tool for the understanding and modeling of large biological networks. Although a lot of progress has been made in developing analysis tools for these models, there is still a need to find approaches…

Molecular Networks · Quantitative Biology 2013-06-14 Jorge G. T. Zañudo , Réka Albert

Elementary flux modes (EFMs) are vectors defined from a metabolic reaction network, giving the connections between substrates and products. EFMs-based metabolic flux analysis (MFA) estimates the flux over each EFM from external flux…

Optimization and Control · Mathematics 2015-04-21 Hildur Æsa Oddsdóttir , Erika Hagrot , Veronique Chotteau , Anders Forsgren

We revisit the modeling of the diauxic growth of a pure microorganism on two distinct sugars which was first described by Monod. Most available models are deterministic and make the assumption that all cells of the microbial ecosystem…

Populations and Evolution · Quantitative Biology 2020-05-19 Carl Graham , Jérôme Harmand , Sylvie Méléard , Josué Tchouanti

Given the large size and complexity of most biochemical regulation and signaling networks, there is a non-trivial relationship between the micro-level logic of component interactions and the observed macro-dynamics. Here we address this…

Molecular Networks · Quantitative Biology 2023-04-19 Thomas Parmer , Luis M. Rocha

Network embeddings learn to represent nodes as low-dimensional vectors to preserve the proximity between nodes and communities of the network for network analysis. The temporal edges (e.g., relationships, contacts, and emails) in dynamic…

Social and Information Networks · Computer Science 2019-06-25 Chuanchang Chen , Yubo Tao , Hai Lin

Network dynamics offers critical insights into the behavior and evolution of complex systems. Here, we focus on the topological dynamics of networks to explore a unique process for reducing the average distance: topological compression. The…

General Topology · Mathematics 2025-08-07 Jian-Hui Li , Zu-Guo Yu , Yu-Chu Tian

We introduce a methodology to study the possible matter flows of an ecosystem defined by observational biomass data and realistic biological constraints. The flows belong to a polyhedron in a multi dimensional space making statistical…

Adaptation and Self-Organizing Systems · Physics 2021-02-04 Jean-Guy Caputo , Valerie Girardin , Arnaud Knippel , Hieu Nguyen , Nathalie Niquil , Quentin Nogues

Genome-scale stoichiometric modeling of metabolism has become a standard systems biology tool for modeling cellular physiology and growth. Extensions of this approach are also emerging as a valuable avenue for predicting, understanding and…

The metabolic activity of microbes has played an essential role in the evolution and persistence of life on Earth. Microbial metabolism plays a primary role in the flow of carbon, nitrogen and other elements through the biosphere on a…

Populations and Evolution · Quantitative Biology 2022-01-20 Chandana Gopalakrishnappa , Karna Gowda , Kaumudi Prabhakara , Seppe Kuehn

The relationship between network topology and system dynamics has significant implications for unifying our understanding of the interplay among metabolic, gene-regulatory, and ecosystem network architecures. Here we analyze the stability…

Populations and Evolution · Quantitative Biology 2015-06-17 Cameron Smith , Raymond S. Puzio , Aviv Bergman