Interplay between constraints, objectives, and optimality for genome-scale stoichiometric models

TR Maarleveld, MT Wortel, BG Olivier… - PLoS computational …, 2015 - journals.plos.org
High-throughput data generation and genome-scale stoichiometric models have greatly
facilitated the comprehensive study of metabolic networks. The computation of all feasible …

Optimal flux spaces of genome-scale stoichiometric models are determined by a few subnetworks

SM Kelk, BG Olivier, L Stougie, FJ Bruggeman - Scientific reports, 2012 - nature.com
The metabolism of organisms can be studied with comprehensive stoichiometric models of
their metabolic networks. Flux balance analysis (FBA) calculates optimal metabolic …

From annotated genomes to metabolic flux models and kinetic parameter fitting

D Segrè, J Zucker, J Katz, X Lin… - OMICS A Journal of …, 2003 - liebertpub.com
Significant advances in system-level modeling of cellular behavior can be achieved based
on constraints derived from genomic information and on optimality hypotheses. For steady …

Identifying essential genes in Escherichia coli from a metabolic optimization principle

C Martelli, A De Martino, E Marinari… - Proceedings of the …, 2009 - National Acad Sciences
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 …

Quantitative assessment of thermodynamic constraints on the solution space of genome-scale metabolic models

JJ Hamilton, V Dwivedi, JL Reed - Biophysical journal, 2013 - cell.com
Constraint-based methods provide powerful computational techniques to allow
understanding and prediction of cellular behavior. These methods rely on physiochemical …

A scalable algorithm to explore the Gibbs energy landscape of genome-scale metabolic networks

D De Martino, M Figliuzzi, A De Martino… - PLoS computational …, 2012 - journals.plos.org
The integration of various types of genomic data into predictive models of biological
networks is one of the main challenges currently faced by computational biology. Constraint …

NetRed, an algorithm to reduce genome-scale metabolic networks and facilitate the analysis of flux predictions

DJ Lugar, SG Mack, G Sriram - Metabolic Engineering, 2021 - Elsevier
Flux balance analysis (FBA) of large, genome-scale stoichiometric models (GSMs) is a
powerful and popular method to predict cell-wide metabolic activity. FBA typically generates …

Cellular determinants of metabolite concentration ranges

A Küken, JMO Eloundou-Mbebi, G Basler… - PLoS computational …, 2019 - journals.plos.org
Cellular functions are shaped by reaction networks whose dynamics are determined by the
concentrations of underlying components. However, cellular mechanisms ensuring that a …

Estimating metabolic fluxes using a maximum network flexibility paradigm

W Megchelenbrink, S Rossell, MA Huynen… - PloS one, 2015 - journals.plos.org
Motivation Genome-scale metabolic networks can be modeled in a constraint-based
fashion. Reaction stoichiometry combined with flux capacity constraints determine the space …

Counting and correcting thermodynamically infeasible flux cycles in genome-scale metabolic networks

D De Martino, F Capuani, M Mori, A De Martino… - Metabolites, 2013 - mdpi.com
Thermodynamics constrains the flow of matter in a reaction network to occur through routes
along which the Gibbs energy decreases, implying that viable steady-state flux patterns …