NExT: integration of thermodynamic constraints and metabolomics data into a metabolic network

Martínez, Veronica Sofía and Nielsen, LK (2014). NExT: integration of thermodynamic constraints and metabolomics data into a metabolic network. In Jens O. Kromer, Lars K. Nielsen and Lars M. Blank (Ed.), Metabolic Flux Analysis: Methods and Protocols (pp. 65-78) New York, NY United States: Humana Press. doi:10.1007/978-1-4939-1170-7_4


Author Martínez, Veronica Sofía
Nielsen, LK
Title of chapter NExT: integration of thermodynamic constraints and metabolomics data into a metabolic network
Formatted title
NExT: Integration of Thermodynamic Constraints and Metabolomics Data into a Metabolic Network
Title of book Metabolic Flux Analysis: Methods and Protocols
Place of Publication New York, NY United States
Publisher Humana Press
Publication Year 2014
Sub-type Article (original research)
DOI 10.1007/978-1-4939-1170-7_4
Open Access Status Not yet assessed
Year available 2014
Series Methods in Molecular Biology
ISBN 9781493911707
9781493911691
ISSN 1064-3745
1940-6029
Editor Jens O. Kromer
Lars K. Nielsen
Lars M. Blank
Volume number 1191
Chapter number 4
Start page 65
End page 78
Total pages 14
Total chapters 17
Language eng
Formatted Abstract/Summary
Thermodynamic constraints are widely used in metabolic modelling such that calculated flux phenotypes are closer to real cell behavior. If metabolic data is also included in the analysis, a check of the thermodynamic consistency of the data can be realized and subsequently use the metabolic data to further constrain the solution space, giving a more specific representation of the cell metabolism under the studied conditions. Here NExT, a software based on network-embedded thermodynamic analysis, is presented, to integrate thermodynamics constraints and metabolomics data in the estimation of intracellular fluxes. New irreversible reactions can be inferred by calculating the thermodynamically feasible range of metabolite concentrations and Gibbs energy of reactions.
Keyword Thermodynamic constraints
Metabolomics
NET analysis
NExT
Q-Index Code BX
Q-Index Status Confirmed Code
Institutional Status UQ

 
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Created: Mon, 09 Feb 2015, 21:30:13 EST by Cathy Fouhy on behalf of Aust Institute for Bioengineering & Nanotechnology