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Open AccessJournal ArticleDOI

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

TLDR
The constraint-based reconstruction and analysis toolbox as discussed by the authors is a software package running in the Matlab environment, which allows for quantitative prediction of cellular behavior using a constraintbased approach and allows predictive computations of both steady-state and dynamic optimal growth behavior, the effects of gene deletions, comprehensive robustness analyses, sampling the range of possible cellular metabolic states and the determination of network modules.
Abstract
The manner in which microorganisms utilize their metabolic processes can be predicted using constraint-based analysis of genome-scale metabolic networks. Herein, we present the constraint-based reconstruction and analysis toolbox, a software package running in the Matlab environment, which allows for quantitative prediction of cellular behavior using a constraint-based approach. Specifically, this software allows predictive computations of both steady-state and dynamic optimal growth behavior, the effects of gene deletions, comprehensive robustness analyses, sampling the range of possible cellular metabolic states and the determination of network modules. Functions enabling these calculations are included in the toolbox, allowing a user to input a genome-scale metabolic model distributed in Systems Biology Markup Language format and perform these calculations with just a few lines of code. The results are predictions of cellular behavior that have been verified as accurate in a growing body of research. After software installation, calculation time is minimal, allowing the user to focus on the interpretation of the computational results.

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Journal ArticleDOI

Aerobic fermentation of D-glucose by an evolved cytochrome oxidase-deficient Escherichia coli strain.

TL;DR: It is demonstrated that three independently adaptively evolved ECOM3 populations acquired different phenotypes: one produced lactate as a sole fermentation product, while the other two strains exhibited a mixed-acid fermentation under oxic growth conditions with lactate remaining as the major product.
Book ChapterDOI

Genome-scale metabolic models: reconstruction and analysis.

TL;DR: A stoichiometric model of metabolism is proposed that can be used for detailed analysis of the metabolic potential of the organism using constraint-based modeling approaches and hence is valuable in understanding its metabolic capabilities.
Journal ArticleDOI

An in silico compartmentalized metabolic model of Brassica napus enables the systemic study of regulatory aspects of plant central metabolism

TL;DR: An in silico multi‐compartmental model of the central metabolism of the plant Brassica napus (Rapeseed), aiming to investigate the metabolic properties of the Brassicaceae family, successfully simulated seed growth during the stage of oil accumulation and provided insight, regarding certain aspects of network plasticity.
Journal ArticleDOI

Modeling phenotypic metabolic adaptations of Mycobacterium tuberculosis H37Rv under hypoxia.

TL;DR: An in silico approach to create state-specific models based on readily available gene expression data to characterize the metabolic adaptations of M. tuberculosis H37Rv to hypoxia and predicts reduced oxygen uptake, ATP production changes, and a global change from an oxidative to a reductive tricarboxylic acid (TCA) program.
Journal ArticleDOI

SurreyFBA: a command line tool and graphics user interface for constraint-based modeling of genome-scale metabolic reaction networks

TL;DR: The SurreyFBA, which provides constraint-based simulations and network map visualization in a free, stand-alone software, is presented, which is based on a command line interface to the GLPK solver distributed as binary and source code for the three major operating systems.
References
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Journal ArticleDOI

Cytoscape: A Software Environment for Integrated Models of Biomolecular Interaction Networks

TL;DR: Several case studies of Cytoscape plug-ins are surveyed, including a search for interaction pathways correlating with changes in gene expression, a study of protein complexes involved in cellular recovery to DNA damage, inference of a combined physical/functional interaction network for Halobacterium, and an interface to detailed stochastic/kinetic gene regulatory models.
Journal ArticleDOI

KEGG: Kyoto Encyclopedia of Genes and Genomes

TL;DR: The Kyoto Encyclopedia of Genes and Genomes (KEGG) as discussed by the authors is a knowledge base for systematic analysis of gene functions in terms of the networks of genes and molecules.
Journal ArticleDOI

The KEGG resource for deciphering the genome

TL;DR: A knowledge-based approach for network prediction is developed, which is to predict, given a complete set of genes in the genome, the protein interaction networks that are responsible for various cellular processes.
Journal ArticleDOI

The systems biology markup language (SBML): a medium for representation and exchange of biochemical network models.

TL;DR: This work summarizes the Systems Biology Markup Language (SBML) Level 1, a free, open, XML-based format for representing biochemical reaction networks, a software-independent language for describing models common to research in many areas of computational biology.
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