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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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MC3: a steady-state model and constraint consistency checker for biochemical networks.

TL;DR: MC3, Model and Constraint Consistency Checker is presented, a computational tool that can be used for two purposes: identifying potential connectivity and topological issues for a given stoichiometric matrix, S, and flags issues that arise during constraint-based optimization.
Journal ArticleDOI

Carbon 13-Metabolic Flux Analysis derived constraint-based metabolic modelling of Clostridium acetobutylicum in stressed chemostat conditions.

TL;DR: The metabolism of butanol producing bacteria Clostridium acetobutylicum was studied in chemostat with glucose limited conditions, butanol stimulus, and as a reference cultivation using COnstraint-Based Reconstruction and Analysis (COBRA) using additional constraints from (13)C Metabolic Flux Analysis and experimental measurement results.
Journal ArticleDOI

An insight to flux-balance analysis for biochemical networks.

TL;DR: This review article gives an insight into FBA, from the extension of flux balancing to mathematical representation followed by a discussion about the formulation of flux-balance analysis problems, defining constraints for the stoichiometry of the pathways and the tools that can be used in FBA such as FASIMA, COBRA toolbox, and OptFlux.
Journal ArticleDOI

Modelling the metabolism of protein secretion through the Tat route in Streptomyces lividans

TL;DR: This work provides a detailed look to metabolic changes associated to Tat-dependent protein secretion reproducing experimental observations and identifying changes that are specific to each secretory route, opening the way for enhanced metabolic engineering of protein overproduction in S. lividans.
Journal ArticleDOI

Computational Models for Clinical Applications in Personalized Medicine—Guidelines and Recommendations for Data Integration and Model Validation

TL;DR: The most relevant computational models for personalized medicine in detail are discussed in detail that can be considered as best-practice guidelines for application in clinical care and provide applicable guidelines and recommendations for study design, data acquisition, and operation.
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.
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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.
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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.
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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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