Creation and analysis of biochemical constraint-based models using the COBRA Toolbox v.3.0
Laurent Heirendt,Sylvain Arreckx,Thomas Pfau,Sebastián N. Mendoza,Anne Richelle,Almut Heinken,Hulda S. Haraldsdóttir,Jacek Wachowiak,Sarah M. Keating,Vanja Vlasov,Stefania Magnusdottir,Chiam Yu Ng,German Preciat,Alise Žagare,Siu Hung Joshua Chan,Maike K. Aurich,Catherine M. Clancy,Jennifer Modamio,John T. Sauls,Alberto Noronha,Aarash Bordbar,Benjamin Cousins,Diana C. El Assal,Luis Vitores Valcárcel,Iñigo Apaolaza,Susan Ghaderi,Masoud Ahookhosh,Marouen Ben Guebila,Andrejs Kostromins,Nicolas Sompairac,Hoai M. Le,Ding Ma,Yuekai Sun,Lin Wang,James T. Yurkovich,Miguel A.P. Oliveira,Phan Tu Vuong,Lemmer P. El Assal,Inna Kuperstein,Andrei Zinovyev,H. Scott Hinton,William A. Bryant,Francisco J. Aragón Artacho,Francisco J. Planes,Egils Stalidzans,Alejandro Maass,Santosh Vempala,Michael Hucka,Michael A. Saunders,Costas D. Maranas,Nathan E. Lewis,Thomas Sauter,Bernhard O. Palsson,Bernhard O. Palsson,Ines Thiele,Ronan M. T. Fleming,Ronan M. T. Fleming +56 more
TL;DR: This protocol provides an overview of all new features of the COBRA Toolbox and can be adapted to generate and analyze constraint-based models in a wide variety of scenarios.
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Abstract: Constraint-based reconstruction and analysis (COBRA) provides a molecular mechanistic framework for integrative analysis of experimental molecular systems biology data and quantitative prediction of physicochemically and biochemically feasible phenotypic states. The COBRA Toolbox is a comprehensive desktop software suite of interoperable COBRA methods. It has found widespread application in biology, biomedicine, and biotechnology because its functions can be flexibly combined to implement tailored COBRA protocols for any biochemical network. This protocol is an update to the COBRA Toolbox v.1.0 and v.2.0. Version 3.0 includes new methods for quality-controlled reconstruction, modeling, topological analysis, strain and experimental design, and network visualization, as well as network integration of chemoinformatic, metabolomic, transcriptomic, proteomic, and thermochemical data. New multi-lingual code integration also enables an expansion in COBRA application scope via high-precision, high-performance, and nonlinear numerical optimization solvers for multi-scale, multi-cellular, and reaction kinetic modeling, respectively. This protocol provides an overview of all these new features and can be adapted to generate and analyze constraint-based models in a wide variety of scenarios. The COBRA Toolbox v.3.0 provides an unparalleled depth of COBRA methods.
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Citations
COBREXA.jl: constraint-based reconstruction and exascale analysis
Miroslav Kratochvíl,Laurent Heirendt,St. Elmo Wilken,Taneli Pusa,Sylvain Arreckx,Alberto Noronha,M. van Aalst,Venkata P. Satagopam,Oliver Ebenhoeh,Reinhard Schneider,Christophe Trefois,Wei Gu +11 more
TL;DR: COBREXA as mentioned in this paper is a Julia package for scalable, high-performance constraint-based reconstruction and analysis of very large-scale biological models, its primary purpose is to facilitate the integration of modern high performance computing environments with the processing of large scale metabolic models of challenging complexity.
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TL;DR: Accounting for NAD concentrations in genome-scale metabolic models captures important metabolic alterations in NAD-depleted systems.
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TL;DR: This paper summarized the research progress on digital cell models in the last ten years after the foundation of Tianjin Institute of Industrial Biotechnology, Chinese Academy of Sciences, with a focus on the development and quality control of genome-scale metabolic network for reliable metabolic pathway design and their application in guiding strain metabolic engineering.
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