Constraining the metabolic genotype–phenotype relationship using a phylogeny of in silico methods

NE Lewis, H Nagarajan, BO Palsson - Nature Reviews Microbiology, 2012 - nature.com
Reconstructed microbial metabolic networks facilitate a mechanistic description of the
genotype–phenotype relationship through the deployment of constraint-based …

DCEO biotechnology: tools to design, construct, evaluate, and optimize the metabolic pathway for biosynthesis of chemicals

X Chen, C Gao, L Guo, G Hu, Q Luo, J Liu… - Chemical …, 2018 - ACS Publications
Chemical synthesis is a well established route for producing many chemicals on a large
scale, but some drawbacks still exist in this process, such as unstable intermediates …

[HTML][HTML] Metabolic modeling of single Th17 cells reveals regulators of autoimmunity

A Wagner, C Wang, J Fessler, D DeTomaso… - Cell, 2021 - cell.com
Metabolism is a major regulator of immune cell function, but it remains difficult to study the
metabolic status of individual cells. Here, we present Compass, an algorithm to characterize …

Creation and analysis of biochemical constraint-based models using the COBRA Toolbox v. 3.0

L Heirendt, S Arreckx, T Pfau, SN Mendoza… - Nature protocols, 2019 - nature.com
Constraint-based reconstruction and analysis (COBRA) provides a molecular mechanistic
framework for integrative analysis of experimental molecular systems biology data and …

[HTML][HTML] COBRApy: constraints-based reconstruction and analysis for python

A Ebrahim, JA Lerman, BO Palsson, DR Hyduke - BMC systems biology, 2013 - Springer
Abstract Background COnstraint-Based Reconstruction and Analysis (COBRA) methods are
widely used for genome-scale modeling of metabolic networks in both prokaryotes and …

Metabolite concentrations, fluxes and free energies imply efficient enzyme usage

JO Park, SA Rubin, YF Xu, D Amador-Noguez… - Nature chemical …, 2016 - nature.com
In metabolism, available free energy is limited and must be divided across pathway steps to
maintain a negative Δ G throughout. For each reaction, Δ G is log proportional both to a …

Quantitative prediction of cellular metabolism with constraint-based models: the COBRA Toolbox v2. 0

J Schellenberger, R Que, RMT Fleming, I Thiele… - Nature protocols, 2011 - nature.com
Over the past decade, a growing community of researchers has emerged around the use of
constraint-based reconstruction and analysis (COBRA) methods to simulate, analyze and …

An upper limit on Gibbs energy dissipation governs cellular metabolism

B Niebel, S Leupold, M Heinemann - Nature Metabolism, 2019 - nature.com
The principles governing cellular metabolic operation are poorly understood. Because
diverse organisms show similar metabolic flux patterns, we hypothesized that a fundamental …

[HTML][HTML] Consistent estimation of Gibbs energy using component contributions

E Noor, HS Haraldsdóttir, R Milo… - PLoS computational …, 2013 - journals.plos.org
Standard Gibbs energies of reactions are increasingly being used in metabolic modeling for
applying thermodynamic constraints on reaction rates, metabolite concentrations and kinetic …

[HTML][HTML] In silico method for modelling metabolism and gene product expression at genome scale

JA Lerman, DR Hyduke, H Latif, VA Portnoy… - Nature …, 2012 - nature.com
Transcription and translation use raw materials and energy generated metabolically to
create the macromolecular machinery responsible for all cellular functions, including …