Skip to main content

2014 | OriginalPaper | Buchkapitel

5. Stoichiometric and Constraint-Based Analysis of Biochemical Reaction Networks

verfasst von : Steffen Klamt, Oliver Hädicke, Axel von Kamp

Erschienen in: Large-Scale Networks in Engineering and Life Sciences

Verlag: Springer International Publishing

Aktivieren Sie unsere intelligente Suche, um passende Fachinhalte oder Patente zu finden.

search-config
loading …

Abstract

Metabolic network analysis based on stoichiometric and constraint-based methods has become one of the most popular and successful modeling approaches in network and systems biology. Although these methods rely solely on the structure (stoichiometry) of metabolic networks and do not require extensive knowledge on mechanistic details of the involved reactions, they enable the extraction of important functional properties of biochemical reaction networks and deliver various testable predictions. This chapter gives an introduction on basic concepts and methods of stoichiometric and constraint-based modeling techniques. The mathematical foundations of the most important approaches—including graph-theoretical analysis, conservation relations, metabolic flux analysis, flux balance analysis, elementary modes, and minimal cut sets—will be presented, and applications in biology and biotechnology will be discussed. It will be shown that network problems arising in the context of metabolic network modeling are related to different fields of applied mathematics such as graph and hypergraph theory, linear algebra, linear programming, and combinatorial optimization. The methods presented herein are discussed in light of biological applications; however, most of them are generally applicable and useful to analyze any chemical or stoichiometric reaction network.

Sie haben noch keine Lizenz? Dann Informieren Sie sich jetzt über unsere Produkte:

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

  • über 102.000 Bücher
  • über 537 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Finance + Banking
  • Management + Führung
  • Marketing + Vertrieb
  • Maschinenbau + Werkstoffe
  • Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

  • über 67.000 Bücher
  • über 390 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Maschinenbau + Werkstoffe




 

Jetzt Wissensvorsprung sichern!

Springer Professional "Wirtschaft"

Online-Abonnement

Mit Springer Professional "Wirtschaft" erhalten Sie Zugriff auf:

  • über 67.000 Bücher
  • über 340 Zeitschriften

aus folgenden Fachgebieten:

  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Finance + Banking
  • Management + Führung
  • Marketing + Vertrieb
  • Versicherung + Risiko




Jetzt Wissensvorsprung sichern!

Literatur
1.
Zurück zum Zitat Albert, R., Barabasi, A.-L.: Statistical mechanics of complex networks. Rev. Mod. Phys. 74, 47–97 (2002) MathSciNetMATH Albert, R., Barabasi, A.-L.: Statistical mechanics of complex networks. Rev. Mod. Phys. 74, 47–97 (2002) MathSciNetMATH
2.
Zurück zum Zitat Ballerstein, K., von Kamp, A., Klamt, S., Haus, U.-U.: Minimal cut sets in a metabolic network are elementary modes in a dual network. Bioinformatics 28, 381–387 (2012) Ballerstein, K., von Kamp, A., Klamt, S., Haus, U.-U.: Minimal cut sets in a metabolic network are elementary modes in a dual network. Bioinformatics 28, 381–387 (2012)
3.
Zurück zum Zitat Barabasi, A.-L., Bonabeau, E.: Scale-free networks. Sci. Am. 288, 60–99 (2003) Barabasi, A.-L., Bonabeau, E.: Scale-free networks. Sci. Am. 288, 60–99 (2003)
4.
Zurück zum Zitat Barabasi, A.-L., Oltvai, Z.: Network biology. Nat. Rev. Genet. 5, 101–113 (2004) Barabasi, A.-L., Oltvai, Z.: Network biology. Nat. Rev. Genet. 5, 101–113 (2004)
5.
Zurück zum Zitat Bates, J.T., Chivian, D., Arkin, A.P.: GLAMM: genome-linked application for metabolic maps. Nucleic Acids Res. 39, W400–W405 (2011) Bates, J.T., Chivian, D., Arkin, A.P.: GLAMM: genome-linked application for metabolic maps. Nucleic Acids Res. 39, W400–W405 (2011)
6.
Zurück zum Zitat Behre, J., Wilhelm, T., von Kamp, A., Ruppin, E., Schuster, S.: Structural robustness of metabolic networks with respect to multiple knockouts. J. Theor. Biol. 252, 433–441 (2008) Behre, J., Wilhelm, T., von Kamp, A., Ruppin, E., Schuster, S.: Structural robustness of metabolic networks with respect to multiple knockouts. J. Theor. Biol. 252, 433–441 (2008)
7.
Zurück zum Zitat Berge, C.: Hypergraphs. Combinatorics of Finite Sets. North-Holland, Amsterdam (1989) MATH Berge, C.: Hypergraphs. Combinatorics of Finite Sets. North-Holland, Amsterdam (1989) MATH
8.
Zurück zum Zitat Bernal, A., Daza, E.: Metabolic networks: beyond the graph. Curr. Comput.-Aided Drug Des. 7, 122–132 (2011) Bernal, A., Daza, E.: Metabolic networks: beyond the graph. Curr. Comput.-Aided Drug Des. 7, 122–132 (2011)
9.
Zurück zum Zitat Bertsimas, D., Tsitsiklis, J.N.: Introduction to Linear Optimization. Athena Scientific, Belmont (1997) Bertsimas, D., Tsitsiklis, J.N.: Introduction to Linear Optimization. Athena Scientific, Belmont (1997)
10.
Zurück zum Zitat Blazier, A.S., Papin, J.A.: Integration of expression data in genome-scale metabolic network reconstructions. Front. Physiol. 3, 299 (2012) Blazier, A.S., Papin, J.A.: Integration of expression data in genome-scale metabolic network reconstructions. Front. Physiol. 3, 299 (2012)
11.
Zurück zum Zitat Bornholt, S.: Less is more in modeling large genetic networks. Science 310, 449–451 (2005) Bornholt, S.: Less is more in modeling large genetic networks. Science 310, 449–451 (2005)
12.
Zurück zum Zitat Burgard, A.P., Pharkya, P., Maranas, C.D.: Optknock: a bilevel programming framework for identifying gene knockout strategies for microbial strain optimization. Biotechnol. Bioeng. 84, 647–657 (2003) Burgard, A.P., Pharkya, P., Maranas, C.D.: Optknock: a bilevel programming framework for identifying gene knockout strategies for microbial strain optimization. Biotechnol. Bioeng. 84, 647–657 (2003)
13.
Zurück zum Zitat Burgard, A.P., Nikolaev, E.V., Schilling, C.H., Maranas, C.D.: Flux coupling analysis of genome-scale metabolic network reconstructions. Genome Res. 14, 301–312 (2004) Burgard, A.P., Nikolaev, E.V., Schilling, C.H., Maranas, C.D.: Flux coupling analysis of genome-scale metabolic network reconstructions. Genome Res. 14, 301–312 (2004)
14.
Zurück zum Zitat Bushell, M., Sequeira, S., Khannapho, C., Zhao, H., Chater, K., Butler, M., Kierzek, A., Avignone-Rossa, C.: The use of genome scale metabolic flux variability analysis for process feed formulation based on an investigation of the effects of the ZWF mutation on antibiotic production in Streptomyces coelicolor. Enzyme Microb. Technol. 39, 1347–1353 (2006) Bushell, M., Sequeira, S., Khannapho, C., Zhao, H., Chater, K., Butler, M., Kierzek, A., Avignone-Rossa, C.: The use of genome scale metabolic flux variability analysis for process feed formulation based on an investigation of the effects of the ZWF mutation on antibiotic production in Streptomyces coelicolor. Enzyme Microb. Technol. 39, 1347–1353 (2006)
15.
Zurück zum Zitat Caspi, R., Altman, T., Dreher, K., Fulcher, C.A., Subhraveti, P., Keseler, I.M., Kothari, A., Krummenacker, M., Latendresse, M., Mueller, L.A., Ong, Q., Paley, S., Pujar, A., Shearer, A.G., Travers, M., Weerasinghe, D., Zhang, P., Karp, P.D.: The MetaCyc database of metabolic pathways and enzymes and the BioCyc collection of pathway/genome databases. Nucleic Acids Res. 40, 742–753 (2012) Caspi, R., Altman, T., Dreher, K., Fulcher, C.A., Subhraveti, P., Keseler, I.M., Kothari, A., Krummenacker, M., Latendresse, M., Mueller, L.A., Ong, Q., Paley, S., Pujar, A., Shearer, A.G., Travers, M., Weerasinghe, D., Zhang, P., Karp, P.D.: The MetaCyc database of metabolic pathways and enzymes and the BioCyc collection of pathway/genome databases. Nucleic Acids Res. 40, 742–753 (2012)
16.
Zurück zum Zitat Chandrasekaran, S., Price, N.D.: Probabilistic integrative modeling of genome-scale metabolic and regulatory networks in Escherichia coli and Mycobacterium tuberculosis. Proc. Natl. Acad. Sci. 107, 17845–17850 (2010) Chandrasekaran, S., Price, N.D.: Probabilistic integrative modeling of genome-scale metabolic and regulatory networks in Escherichia coli and Mycobacterium tuberculosis. Proc. Natl. Acad. Sci. 107, 17845–17850 (2010)
17.
Zurück zum Zitat Clark, B.L.: Stoichiometric network analysis. Cell Biophys. 12, 237–253 (1988) Clark, B.L.: Stoichiometric network analysis. Cell Biophys. 12, 237–253 (1988)
18.
Zurück zum Zitat Conradi, C., Flockerzi, D.: Multistationarity in mass action networks with applications to ERK activation. J. Math. Biol. 65, 107–156 (2012) MathSciNetMATH Conradi, C., Flockerzi, D.: Multistationarity in mass action networks with applications to ERK activation. J. Math. Biol. 65, 107–156 (2012) MathSciNetMATH
19.
Zurück zum Zitat Copeland, W.B., Bartley, B.A., Chandran, D., Galdzicki, M., Kim, K.H., Sleight, S.C., Maranas, C.D., Sauro, H.M.: Computational tools for metabolic engineering. Metab. Eng. 14, 270–280 (2012) Copeland, W.B., Bartley, B.A., Chandran, D., Galdzicki, M., Kim, K.H., Sleight, S.C., Maranas, C.D., Sauro, H.M.: Computational tools for metabolic engineering. Metab. Eng. 14, 270–280 (2012)
20.
Zurück zum Zitat Cornish-Bowden, A., Hofmeyr, J.H.: The role of stoichiometric analysis in studies of metabolism: an example. J. Theor. Biol. 216, 179–191 (2002) MathSciNet Cornish-Bowden, A., Hofmeyr, J.H.: The role of stoichiometric analysis in studies of metabolism: an example. J. Theor. Biol. 216, 179–191 (2002) MathSciNet
21.
Zurück zum Zitat Covert, M.W., Schilling, C.H., Palsson, B.O.: Regulation of gene expression in flux balance models of metabolism. J. Theor. Biol. 213, 73–88 (2001) Covert, M.W., Schilling, C.H., Palsson, B.O.: Regulation of gene expression in flux balance models of metabolism. J. Theor. Biol. 213, 73–88 (2001)
22.
Zurück zum Zitat Covert, M.W., Knight, E.M., Reed, J.L., Herrgard, M.J., Palsson, B.O.: Integrating high-throughput and computational data elucidates bacterial networks. Nature 429, 92–96 (2004) Covert, M.W., Knight, E.M., Reed, J.L., Herrgard, M.J., Palsson, B.O.: Integrating high-throughput and computational data elucidates bacterial networks. Nature 429, 92–96 (2004)
23.
Zurück zum Zitat Covert, M.W., Xiao, N., Chen, T.J., Karr, J.R.: Integrating metabolic, transcriptional regulatory and signal transduction models in Escherichia coli. Bioinformatics 24, 2044–2050 (2008) Covert, M.W., Xiao, N., Chen, T.J., Karr, J.R.: Integrating metabolic, transcriptional regulatory and signal transduction models in Escherichia coli. Bioinformatics 24, 2044–2050 (2008)
24.
Zurück zum Zitat Craciun, G., Tang, Y., Feinberg, M.: Understanding bistability in complex enzyme-driven reaction networks. Proc. Natl. Acad. Sci. 103, 8697–8702 (2006) MATH Craciun, G., Tang, Y., Feinberg, M.: Understanding bistability in complex enzyme-driven reaction networks. Proc. Natl. Acad. Sci. 103, 8697–8702 (2006) MATH
25.
Zurück zum Zitat Csete, M., Doyle, J.: Bow ties, metabolism and disease. Trends Biotechnol. 22, 446–450 (2004) Csete, M., Doyle, J.: Bow ties, metabolism and disease. Trends Biotechnol. 22, 446–450 (2004)
26.
Zurück zum Zitat David, L., Marashi, S.A., Larhlimi, A., Mieth, B., Bockmayr, A.: FFCA: a feasibility-based method for flux coupling analysis of metabolic networks. BMC Bioinform. 12, 236 (2011) David, L., Marashi, S.A., Larhlimi, A., Mieth, B., Bockmayr, A.: FFCA: a feasibility-based method for flux coupling analysis of metabolic networks. BMC Bioinform. 12, 236 (2011)
27.
Zurück zum Zitat de Figueiredo, L.F., Podhorski, A., Rubio, A., Kaleta, C., Beasley, J.E., Schuster, S., Planes, F.J.: Computing the shortest elementary flux modes in genome-scale metabolic networks. Bioinformatics 25, 3158–3165 (2009) de Figueiredo, L.F., Podhorski, A., Rubio, A., Kaleta, C., Beasley, J.E., Schuster, S., Planes, F.J.: Computing the shortest elementary flux modes in genome-scale metabolic networks. Bioinformatics 25, 3158–3165 (2009)
28.
Zurück zum Zitat Droste, P., Miebach, S., Niedenführ, S., Wiechert, W., Nöh, K.: Visualizing multi-omics data in metabolic networks with the software Omix: a case study. Biosystems 105, 154–161 (2011) Droste, P., Miebach, S., Niedenführ, S., Wiechert, W., Nöh, K.: Visualizing multi-omics data in metabolic networks with the software Omix: a case study. Biosystems 105, 154–161 (2011)
29.
Zurück zum Zitat Durot, M., Bourguignon, P.Y., Schachter, V.: Genome-scale models of bacterial metabolism: reconstruction and applications. FEMS Microbiol. Rev. 33, 164–190 (2009) Durot, M., Bourguignon, P.Y., Schachter, V.: Genome-scale models of bacterial metabolism: reconstruction and applications. FEMS Microbiol. Rev. 33, 164–190 (2009)
30.
Zurück zum Zitat Edwards, J.S., Palsson, B.O.: The Escherichia coli MG1655 in silico metabolic genotype: its definition, characteristics, and capabilities. Proc. Natl. Acad. Sci. 97, 5528–5533 (2000) Edwards, J.S., Palsson, B.O.: The Escherichia coli MG1655 in silico metabolic genotype: its definition, characteristics, and capabilities. Proc. Natl. Acad. Sci. 97, 5528–5533 (2000)
31.
Zurück zum Zitat Edwards, J.S., Ibarra, R.U., Palsson, B.O.: In silico predictions of Escherichia coli metabolic capabilities are consistent with experimental data. Nat. Biotechnol. 19, 125–130 (2001) Edwards, J.S., Ibarra, R.U., Palsson, B.O.: In silico predictions of Escherichia coli metabolic capabilities are consistent with experimental data. Nat. Biotechnol. 19, 125–130 (2001)
32.
Zurück zum Zitat Feinberg, M.: Chemical reaction network structure and the stability of complex isothermal reactors—I. The deficiency zero and deficiency one theorems. Chem. Eng. Sci. 42, 2229–2268 (1987) Feinberg, M.: Chemical reaction network structure and the stability of complex isothermal reactors—I. The deficiency zero and deficiency one theorems. Chem. Eng. Sci. 42, 2229–2268 (1987)
33.
Zurück zum Zitat Feist, A.M., Palsson, B.O.: The biomass objective function. Curr. Opin. Microbiol. 13, 344–349 (2010) Feist, A.M., Palsson, B.O.: The biomass objective function. Curr. Opin. Microbiol. 13, 344–349 (2010)
34.
Zurück zum Zitat Feist, A.M., Herrgard, M.J., Thiele, I., Reed, J.L., Palsson, B.O.: Reconstruction of biochemical networks in microorganisms. Nat. Rev. Microbiol. 7, 129–143 (2009) Feist, A.M., Herrgard, M.J., Thiele, I., Reed, J.L., Palsson, B.O.: Reconstruction of biochemical networks in microorganisms. Nat. Rev. Microbiol. 7, 129–143 (2009)
35.
Zurück zum Zitat Feng, X., Xu, Y., Chen, Y., Tang, Y.J.: MicrobesFlux: a web platform for drafting metabolic models from the KEGG database. BMC Syst. Biol. 6, 94 (2012) Feng, X., Xu, Y., Chen, Y., Tang, Y.J.: MicrobesFlux: a web platform for drafting metabolic models from the KEGG database. BMC Syst. Biol. 6, 94 (2012)
36.
Zurück zum Zitat Foerster, J., Famili, I., Palsson, B.O., Nielsen, J.: Large-scale evaluation of in silico gene deletions in Saccharomyces cerevisiae. Omics. J. Integr. Biol. 7, 193–202 (2003) Foerster, J., Famili, I., Palsson, B.O., Nielsen, J.: Large-scale evaluation of in silico gene deletions in Saccharomyces cerevisiae. Omics. J. Integr. Biol. 7, 193–202 (2003)
37.
Zurück zum Zitat Fong, S.S., Palsson, B.O.: Metabolic gene-deletion strains of Escherichia coli evolve to computationally predicted growth phenotypes. Nat. Genet. 36, 1056–1058 (2004) Fong, S.S., Palsson, B.O.: Metabolic gene-deletion strains of Escherichia coli evolve to computationally predicted growth phenotypes. Nat. Genet. 36, 1056–1058 (2004)
38.
Zurück zum Zitat Fong, S.S., Burgard, A.P., Herring, C.D., Knight, E.M., Blattner, F.R., Maranas, C.D., Palsson, B.O.: In silico design and adaptive evolution of Escherichia coli for production of lactic acid. Biotechnol. Bioeng. 91, 643–648 (2005) Fong, S.S., Burgard, A.P., Herring, C.D., Knight, E.M., Blattner, F.R., Maranas, C.D., Palsson, B.O.: In silico design and adaptive evolution of Escherichia coli for production of lactic acid. Biotechnol. Bioeng. 91, 643–648 (2005)
39.
Zurück zum Zitat Fredman, M.L., Khachiyan, L.: On the complexity of dualization of monotone disjunctive normal forms. J. Algorithms 21, 618–628 (1996) MathSciNetMATH Fredman, M.L., Khachiyan, L.: On the complexity of dualization of monotone disjunctive normal forms. J. Algorithms 21, 618–628 (1996) MathSciNetMATH
40.
Zurück zum Zitat Fukuda, K., Prodon, A.: Double description method revisited. In: Deza, M., Euler, R., Manoussakis, I. (eds.) Combinatorics and Computer Science, vol. 1120, pp. 91–111. Springer, Berlin (1996) Fukuda, K., Prodon, A.: Double description method revisited. In: Deza, M., Euler, R., Manoussakis, I. (eds.) Combinatorics and Computer Science, vol. 1120, pp. 91–111. Springer, Berlin (1996)
41.
Zurück zum Zitat Funahashi, A., Matsuoka, Y., Jouraku, A., Morohashi, M., Kikuchi, N., Kitano, H.: CellDesigner 3.5: a versatile modeling tool for biochemical networks. Proc. IEEE 96, 1254–1265 (2008) Funahashi, A., Matsuoka, Y., Jouraku, A., Morohashi, M., Kikuchi, N., Kitano, H.: CellDesigner 3.5: a versatile modeling tool for biochemical networks. Proc. IEEE 96, 1254–1265 (2008)
42.
Zurück zum Zitat Gagneur, J., Klamt, S.: Computation of elementary modes: a unifying framework and the new binary approach. BMC Bioinform. 5, 175 (2004) Gagneur, J., Klamt, S.: Computation of elementary modes: a unifying framework and the new binary approach. BMC Bioinform. 5, 175 (2004)
43.
Zurück zum Zitat Gleeson, J., Ryan, J.: Identifying minimally infeasible subsystems of inequalities. ORSA J. Comput. 2, 61–63 (1990) MATH Gleeson, J., Ryan, J.: Identifying minimally infeasible subsystems of inequalities. ORSA J. Comput. 2, 61–63 (1990) MATH
44.
Zurück zum Zitat Hädicke, O., Klamt, S.: CASOP: a computational approach for strain optimization aiming at high productivity. J. Biotechnol. 147, 88–101 (2010) Hädicke, O., Klamt, S.: CASOP: a computational approach for strain optimization aiming at high productivity. J. Biotechnol. 147, 88–101 (2010)
45.
Zurück zum Zitat Hädicke, O., Klamt, S.: Computing complex metabolic intervention strategies using constrained minimal cut sets. Metab. Eng. 13, 204–213 (2011) Hädicke, O., Klamt, S.: Computing complex metabolic intervention strategies using constrained minimal cut sets. Metab. Eng. 13, 204–213 (2011)
46.
Zurück zum Zitat Hädicke, O., Grammel, H., Klamt, S.: Metabolic network modeling of redox balancing and biohydrogen production in purple nonsulfur bacteria. BMC Syst. Biol. 5, 150 (2011) Hädicke, O., Grammel, H., Klamt, S.: Metabolic network modeling of redox balancing and biohydrogen production in purple nonsulfur bacteria. BMC Syst. Biol. 5, 150 (2011)
47.
Zurück zum Zitat Haggart, C.R., Bartell, J.A., Saucerman, J.J., Papin, J.A.: Whole-genome metabolic network reconstruction and constraint-based modeling. Methods Enzymol. 500, 411–433 (2011) Haggart, C.R., Bartell, J.A., Saucerman, J.J., Papin, J.A.: Whole-genome metabolic network reconstruction and constraint-based modeling. Methods Enzymol. 500, 411–433 (2011)
48.
Zurück zum Zitat Haus, U.-U., Klamt, S., Stephen, T.: Computing knock-out strategies in metabolic networks. J. Comput. Biol. 15, 259–268 (2008) MathSciNet Haus, U.-U., Klamt, S., Stephen, T.: Computing knock-out strategies in metabolic networks. J. Comput. Biol. 15, 259–268 (2008) MathSciNet
49.
Zurück zum Zitat Heinrich, R., Schuster, S.: The Regulation of Cellular Systems. Chapman & Hall, New York (1996) MATH Heinrich, R., Schuster, S.: The Regulation of Cellular Systems. Chapman & Hall, New York (1996) MATH
50.
Zurück zum Zitat Henry, C.S., Broadbelt, L.J., Hatzimanikatis, V.: Thermodynamics-based metabolic flux analysis. Biophys. J. 92, 1792–1805 (2007) Henry, C.S., Broadbelt, L.J., Hatzimanikatis, V.: Thermodynamics-based metabolic flux analysis. Biophys. J. 92, 1792–1805 (2007)
51.
Zurück zum Zitat Henry, C.S., DeJongh, M., Best, A.B., Frybarger, P.M., Linsay, B., Stevens, R.L.: High-throughput generation and optimization of genome-scale metabolic models. Nat. Biotechnol. 28, 977–982 (2010) Henry, C.S., DeJongh, M., Best, A.B., Frybarger, P.M., Linsay, B., Stevens, R.L.: High-throughput generation and optimization of genome-scale metabolic models. Nat. Biotechnol. 28, 977–982 (2010)
52.
Zurück zum Zitat Hoppe, A., Hoffmann, S., Holzhuetter, H.G.: Including metabolite concentrations into flux-balance analysis: thermodynamic realizability as a constraint on flux distributions in metabolic networks. BMC Syst. Biol. 1, 23 (2007) Hoppe, A., Hoffmann, S., Holzhuetter, H.G.: Including metabolite concentrations into flux-balance analysis: thermodynamic realizability as a constraint on flux distributions in metabolic networks. BMC Syst. Biol. 1, 23 (2007)
53.
Zurück zum Zitat Hoppe, A., Hoffmann, S., Gerasch, A., Gille, C., Holzhütter, H.G.: FASIMU: flexible software for flux-balance computation series in large metabolic networks. BMC Bioinform. 12 (2011) Hoppe, A., Hoffmann, S., Gerasch, A., Gille, C., Holzhütter, H.G.: FASIMU: flexible software for flux-balance computation series in large metabolic networks. BMC Bioinform. 12 (2011)
54.
Zurück zum Zitat Hucka, M., Finney, A., Sauro, H.M., Bolouri, H., Doyle, J.C., Kitano, H., et al.: The systems biology markup language (SBML): a medium for representation and exchange of biochemical network models. Bioinformatics 19, 524–531 (2003) Hucka, M., Finney, A., Sauro, H.M., Bolouri, H., Doyle, J.C., Kitano, H., et al.: The systems biology markup language (SBML): a medium for representation and exchange of biochemical network models. Bioinformatics 19, 524–531 (2003)
55.
Zurück zum Zitat Ibarra, R.U., Edwards, J.S., Palsson, B.O.: Escherichia coli K-12 undergoes adaptive evolution to achieve in silico predicted optimal growth. Nature 420, 186–189 (2002) Ibarra, R.U., Edwards, J.S., Palsson, B.O.: Escherichia coli K-12 undergoes adaptive evolution to achieve in silico predicted optimal growth. Nature 420, 186–189 (2002)
56.
Zurück zum Zitat Ip, K., Colijn, C., Lun, D.S.: Analysis of complex metabolic behavior through pathway decomposition. BMC Syst. Biol. 5, 91 (2011) Ip, K., Colijn, C., Lun, D.S.: Analysis of complex metabolic behavior through pathway decomposition. BMC Syst. Biol. 5, 91 (2011)
57.
Zurück zum Zitat Jankowski, M.D., Henry, C.S., Broadbelt, L.J., Hatzimanikatis, V.: Group contribution method for thermodynamic analysis of complex metabolic networks. Biophys. J. 95, 1487–1499 (2008) Jankowski, M.D., Henry, C.S., Broadbelt, L.J., Hatzimanikatis, V.: Group contribution method for thermodynamic analysis of complex metabolic networks. Biophys. J. 95, 1487–1499 (2008)
58.
Zurück zum Zitat Jantama, K., Haupt, M.J., Svoronos, S.A., Zhang, X., Moore, J.C., Shanmugam, K.T., Ingram, L.O.: Combining metabolic engineering and metabolic evolution to develop nonrecombinant strains of Escherichia coli C that produce succinate and malate. Biotechnol. Bioeng. 99, 1140–1153 (2008) Jantama, K., Haupt, M.J., Svoronos, S.A., Zhang, X., Moore, J.C., Shanmugam, K.T., Ingram, L.O.: Combining metabolic engineering and metabolic evolution to develop nonrecombinant strains of Escherichia coli C that produce succinate and malate. Biotechnol. Bioeng. 99, 1140–1153 (2008)
59.
Zurück zum Zitat Jeong, H., Tombor, B., Albert, R., Oltvai, Z.N., Barabasi, A.L.: The large-scale organisation of metabolic networks. Nature 407, 651–654 (2000) Jeong, H., Tombor, B., Albert, R., Oltvai, Z.N., Barabasi, A.L.: The large-scale organisation of metabolic networks. Nature 407, 651–654 (2000)
60.
Zurück zum Zitat Jungreuthmayer, C., Zanghellini, J.: Designing optimal cell factories: integer programming couples elementary mode analysis with regulation. BMC Syst. Biol. 6, 103 (2012) Jungreuthmayer, C., Zanghellini, J.: Designing optimal cell factories: integer programming couples elementary mode analysis with regulation. BMC Syst. Biol. 6, 103 (2012)
61.
Zurück zum Zitat Kaleta, C., de Figueiredo, L.F., Schuster, S.: Can the whole be less than the sum of its parts? Pathway analysis in genome-scale metabolic networks using elementary flux patterns. Genome Res. 19, 1872–1883 (2009) Kaleta, C., de Figueiredo, L.F., Schuster, S.: Can the whole be less than the sum of its parts? Pathway analysis in genome-scale metabolic networks using elementary flux patterns. Genome Res. 19, 1872–1883 (2009)
62.
Zurück zum Zitat Kaleta, C., de Figueiredo, L.F., Werner, S., Guthke, R., Ristow, M., Schuster, S.: In silico evidence for gluconeogenesis from fatty acids in humans. PLoS Comput. Biol. 7, e1002116 (2011) Kaleta, C., de Figueiredo, L.F., Werner, S., Guthke, R., Ristow, M., Schuster, S.: In silico evidence for gluconeogenesis from fatty acids in humans. PLoS Comput. Biol. 7, e1002116 (2011)
63.
Zurück zum Zitat Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M.: KEGG for integration and interpretation of large-scale molecular data sets. Nucleic Acids Res. 40, 109–114 (2012) Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M.: KEGG for integration and interpretation of large-scale molecular data sets. Nucleic Acids Res. 40, 109–114 (2012)
64.
Zurück zum Zitat Karp, P.D., Caspi, R.: A survey of metabolic databases emphasizing the MetaCyc family. Arch. Toxicol. 85, 1015–1033 (2011) Karp, P.D., Caspi, R.: A survey of metabolic databases emphasizing the MetaCyc family. Arch. Toxicol. 85, 1015–1033 (2011)
65.
Zurück zum Zitat Karp, P.D., Riley, M., Saier, M., Paulsen, I.T., Paley, S.M., Pellegrini-Toole, A.: The EcoCyc and MetaCyc databases. Nucleic Acids Res. 28, 56–59 (2000) Karp, P.D., Riley, M., Saier, M., Paulsen, I.T., Paley, S.M., Pellegrini-Toole, A.: The EcoCyc and MetaCyc databases. Nucleic Acids Res. 28, 56–59 (2000)
66.
Zurück zum Zitat Karp, P.D., Paley, S.M., Krummenacker, M., Latendresse, M., Dale, J.M., Lee, T.J., Kaipa, P., Gilham, F., Spaulding, A., Popescu, L., Altman, T., Paulsen, I., Keseler, I.M., Caspi, R.: Pathway Tools version 13.0: integrated software for pathway/genome informatics and systems biology. Brief. Bioinform. 11, 40–79 (2010) Karp, P.D., Paley, S.M., Krummenacker, M., Latendresse, M., Dale, J.M., Lee, T.J., Kaipa, P., Gilham, F., Spaulding, A., Popescu, L., Altman, T., Paulsen, I., Keseler, I.M., Caspi, R.: Pathway Tools version 13.0: integrated software for pathway/genome informatics and systems biology. Brief. Bioinform. 11, 40–79 (2010)
67.
Zurück zum Zitat Kelk, S.M., Olivier, B.G., Stougie, L., Bruggeman, F.J.: Optimal flux spaces of genome-scale stoichiometric models are determined by a few subnetworks. Sci. Rep. 2, 580 (2012) Kelk, S.M., Olivier, B.G., Stougie, L., Bruggeman, F.J.: Optimal flux spaces of genome-scale stoichiometric models are determined by a few subnetworks. Sci. Rep. 2, 580 (2012)
68.
Zurück zum Zitat Kim, J., Reed, J.L.: OptORF: optimal metabolic and regulatory perturbations for metabolic engineering of microbial strains. BMC Syst. Biol. 4, 53 (2010) Kim, J., Reed, J.L.: OptORF: optimal metabolic and regulatory perturbations for metabolic engineering of microbial strains. BMC Syst. Biol. 4, 53 (2010)
69.
Zurück zum Zitat Klamt, S.: Generalized concept of minimal cut sets in biochemical networks. Biosystems 83, 233–247 (2006) Klamt, S.: Generalized concept of minimal cut sets in biochemical networks. Biosystems 83, 233–247 (2006)
70.
Zurück zum Zitat Klamt, S., Gilles, E.D.: Minimal cut sets in biochemical reaction networks. Bioinformatics 20, 226–234 (2004) Klamt, S., Gilles, E.D.: Minimal cut sets in biochemical reaction networks. Bioinformatics 20, 226–234 (2004)
71.
Zurück zum Zitat Klamt, S., Stelling, J.: Two approaches for metabolic pathway analysis? Trends Biotechnol. 21, 64–69 (2003) Klamt, S., Stelling, J.: Two approaches for metabolic pathway analysis? Trends Biotechnol. 21, 64–69 (2003)
72.
Zurück zum Zitat Klamt, S., Stelling, J.: Stoichiometric and constraint-based modeling. In: Szallasi, Z., Stelling, J., Periwal, V. (eds.) System Modeling in Cellular Biology, pp. 73–96. MIT Press, Cambridge (2006) Klamt, S., Stelling, J.: Stoichiometric and constraint-based modeling. In: Szallasi, Z., Stelling, J., Periwal, V. (eds.) System Modeling in Cellular Biology, pp. 73–96. MIT Press, Cambridge (2006)
73.
Zurück zum Zitat Klamt, S., von Kamp, A.: An application programming interface for CellNetAnalyzer. Biosystems 105, 162–168 (2011) Klamt, S., von Kamp, A.: An application programming interface for CellNetAnalyzer. Biosystems 105, 162–168 (2011)
74.
Zurück zum Zitat Klamt, S., Schuster, S., Gilles, E.D.: Calculability analysis in underdetermined metabolic networks illustrated by a model of the central metabolism in purple nonsulfur bacteria. Biotechnol. Bioeng. 77, 734–751 (2002) Klamt, S., Schuster, S., Gilles, E.D.: Calculability analysis in underdetermined metabolic networks illustrated by a model of the central metabolism in purple nonsulfur bacteria. Biotechnol. Bioeng. 77, 734–751 (2002)
75.
Zurück zum Zitat Klamt, S., Gagneur, J., von Kamp, A.: Algorithmic approaches for computing elementary modes in large biochemical reaction networks. Syst. Biol. 152, 249–255 (2005) Klamt, S., Gagneur, J., von Kamp, A.: Algorithmic approaches for computing elementary modes in large biochemical reaction networks. Syst. Biol. 152, 249–255 (2005)
76.
Zurück zum Zitat Klamt, S., Saez-Rodriguez, J., Gilles, E.D.: Structural and functional analysis of cellular networks with CellNetAnalyzer. BMC Syst. Biol. 1, 2 (2007) Klamt, S., Saez-Rodriguez, J., Gilles, E.D.: Structural and functional analysis of cellular networks with CellNetAnalyzer. BMC Syst. Biol. 1, 2 (2007)
77.
Zurück zum Zitat Klamt, S., Haus, U.-U., Theis, F.: Hypergraphs and cellular networks. PLoS Comput. Biol. 5, e1000385 (2009) MathSciNet Klamt, S., Haus, U.-U., Theis, F.: Hypergraphs and cellular networks. PLoS Comput. Biol. 5, e1000385 (2009) MathSciNet
78.
Zurück zum Zitat Klukas, C., Schreiber, F.: Integration of -omics data and networks for biomedical research with VANTED. J. Integr. Bioinform. 7, 112 (2010) Klukas, C., Schreiber, F.: Integration of -omics data and networks for biomedical research with VANTED. J. Integr. Bioinform. 7, 112 (2010)
79.
Zurück zum Zitat Latendresse, M., Krummenacker, M., Trupp, M., Karp, P.D.: Construction and completion of flux balance models from pathway databases. Bioinformatics 3, 388–396 (2012) Latendresse, M., Krummenacker, M., Trupp, M., Karp, P.D.: Construction and completion of flux balance models from pathway databases. Bioinformatics 3, 388–396 (2012)
80.
Zurück zum Zitat Le Novère, N., Hucka, M., Mi, H., Moodie, S., Schreiber, F., Sorokin, A., et al.: The systems biology graphical notation. Nat. Biotechnol. 27, 735–741 (2009) Le Novère, N., Hucka, M., Mi, H., Moodie, S., Schreiber, F., Sorokin, A., et al.: The systems biology graphical notation. Nat. Biotechnol. 27, 735–741 (2009)
81.
Zurück zum Zitat Leiser, J., Blum, J.J.: On the analysis of substrate cycles in large metabolic systems. Cell Biophys. 11, 123–138 (1987) Leiser, J., Blum, J.J.: On the analysis of substrate cycles in large metabolic systems. Cell Biophys. 11, 123–138 (1987)
82.
Zurück zum Zitat Lewis, N.E., Nagarajan, H., Palsson, B.O.: Constraining the metabolic genotype–phenotype relationship using a phylogeny of in silico methods. Nat. Rev. Microbiol. 10, 291–305 (2012) Lewis, N.E., Nagarajan, H., Palsson, B.O.: Constraining the metabolic genotype–phenotype relationship using a phylogeny of in silico methods. Nat. Rev. Microbiol. 10, 291–305 (2012)
83.
Zurück zum Zitat Lun, D.S., Rockwell, G., Guido, N.J., Baym, M., Kelner, J.A., Berger, B., Galagan, J.E., Church, G.M.: Large-scale identification of genetic design strategies using local search. Mol. Syst. Biol. 5, 296 (2009) Lun, D.S., Rockwell, G., Guido, N.J., Baym, M., Kelner, J.A., Berger, B., Galagan, J.E., Church, G.M.: Large-scale identification of genetic design strategies using local search. Mol. Syst. Biol. 5, 296 (2009)
84.
Zurück zum Zitat Maertens, J., Vanrolleghem, P.A.: Modeling with a view to target identification in metabolic engineering: a critical evaluation of the available tools. Biotechnol. Prog. 26, 313–331 (2010) Maertens, J., Vanrolleghem, P.A.: Modeling with a view to target identification in metabolic engineering: a critical evaluation of the available tools. Biotechnol. Prog. 26, 313–331 (2010)
85.
Zurück zum Zitat Mahadevan, R., Schilling, C.H.: The effects of alternate optimal solutions in constraint-based genome-scale metabolic models. Metab. Eng. 5, 264–276 (2003) Mahadevan, R., Schilling, C.H.: The effects of alternate optimal solutions in constraint-based genome-scale metabolic models. Metab. Eng. 5, 264–276 (2003)
86.
Zurück zum Zitat Mahadevan, R., Edwards, J.S., Doyle, F.J.: Dynamic flux balance analysis of diauxic growth in Escherichia coli. Biophys. J. 83, 1331–1340 (2002) Mahadevan, R., Edwards, J.S., Doyle, F.J.: Dynamic flux balance analysis of diauxic growth in Escherichia coli. Biophys. J. 83, 1331–1340 (2002)
87.
Zurück zum Zitat Marashi, S.A., David, L., Bockmayr, A.: Analysis of metabolic subnetworks by flux cone projection. Algorithms Mol. Biol. 7, 17 (2012) Marashi, S.A., David, L., Bockmayr, A.: Analysis of metabolic subnetworks by flux cone projection. Algorithms Mol. Biol. 7, 17 (2012)
88.
Zurück zum Zitat Mavrovouniotis, M.L., Stephanopoulos, G., Stephanopoulos, G.: Computer-aided synthesis of biochemical pathways. Biotechnol. Bioeng. 36, 1119–1132 (1990) Mavrovouniotis, M.L., Stephanopoulos, G., Stephanopoulos, G.: Computer-aided synthesis of biochemical pathways. Biotechnol. Bioeng. 36, 1119–1132 (1990)
89.
Zurück zum Zitat Melzer, G., Esfandabadi, M.E., Franco-Lara, E., Wittmann, C.: Flux design: in silico design of cell factories based on correlation of pathway fluxes to desired properties. BMC Syst. Biol. 3, 120 (2009) Melzer, G., Esfandabadi, M.E., Franco-Lara, E., Wittmann, C.: Flux design: in silico design of cell factories based on correlation of pathway fluxes to desired properties. BMC Syst. Biol. 3, 120 (2009)
90.
Zurück zum Zitat Nagasaki, M., Saito, A., Jeong, E., Li, C., Kojima, K., Ikeda, E., Miyano, S.: Cell Illustrator 4.0: a computational platform for systems biology. In Silico Biol. 10, 5–26 (2010) Nagasaki, M., Saito, A., Jeong, E., Li, C., Kojima, K., Ikeda, E., Miyano, S.: Cell Illustrator 4.0: a computational platform for systems biology. In Silico Biol. 10, 5–26 (2010)
91.
Zurück zum Zitat Newman, M.E.J.: The structure and function of complex networks. SIAM Rev. 45, 167–256 (2003) MathSciNetMATH Newman, M.E.J.: The structure and function of complex networks. SIAM Rev. 45, 167–256 (2003) MathSciNetMATH
92.
Zurück zum Zitat Oberhardt, M.A., Palsson, B.O., Papin, J.A.: Applications of genome-scale metabolic reconstructions. Mol. Syst. Biol. 5, 320 (2009) Oberhardt, M.A., Palsson, B.O., Papin, J.A.: Applications of genome-scale metabolic reconstructions. Mol. Syst. Biol. 5, 320 (2009)
93.
Zurück zum Zitat Oxley, J.G.: Matroid Theory. Oxford University Press, Oxford (2004) Oxley, J.G.: Matroid Theory. Oxford University Press, Oxford (2004)
94.
Zurück zum Zitat Papin, J.A., Price, N.D., Palsson, B.O.: Extreme pathway lengths and reaction participation in genome-scale metabolic networks. Genome Res. 12, 1889–1900 (2002) Papin, J.A., Price, N.D., Palsson, B.O.: Extreme pathway lengths and reaction participation in genome-scale metabolic networks. Genome Res. 12, 1889–1900 (2002)
95.
Zurück zum Zitat Papin, J.A., Stelling, J., Price, N.D., Klamt, S., Schuster, S., Palsson, B.O.: Comparison of network-based pathway analysis methods. Trends Biotechnol. 22, 400–405 (2004) Papin, J.A., Stelling, J., Price, N.D., Klamt, S., Schuster, S., Palsson, B.O.: Comparison of network-based pathway analysis methods. Trends Biotechnol. 22, 400–405 (2004)
96.
Zurück zum Zitat Patil, K.R., Rocha, I., Förster, J., Nielsen, J.: Evolutionary programming as a platform for in silico metabolic engineering. BMC Bioinform. 6, 308 (2005) Patil, K.R., Rocha, I., Förster, J., Nielsen, J.: Evolutionary programming as a platform for in silico metabolic engineering. BMC Bioinform. 6, 308 (2005)
97.
Zurück zum Zitat Pfeiffer, T., Sanchez-Valdenebro, I., Nuno, J.C., Montero, F., Schuster, S.: METATOOL: for studying metabolic networks. Bioinformatics 15, 251–257 (1999) Pfeiffer, T., Sanchez-Valdenebro, I., Nuno, J.C., Montero, F., Schuster, S.: METATOOL: for studying metabolic networks. Bioinformatics 15, 251–257 (1999)
98.
Zurück zum Zitat Pharkya, P., Maranas, C.D.: An optimization framework for identifying reaction activation/inhibition or elimination candidates for overproduction in microbial systems. Metab. Eng. 8, 1–13 (2006) Pharkya, P., Maranas, C.D.: An optimization framework for identifying reaction activation/inhibition or elimination candidates for overproduction in microbial systems. Metab. Eng. 8, 1–13 (2006)
99.
Zurück zum Zitat Pharkya, P., Burgard, A.P., Maranas, C.D.: OptStrain: a computational framework for redesign of microbial production systems. Genome Res. 14, 2367–2376 (2004) Pharkya, P., Burgard, A.P., Maranas, C.D.: OptStrain: a computational framework for redesign of microbial production systems. Genome Res. 14, 2367–2376 (2004)
100.
Zurück zum Zitat Portnoy, V.A., Bezdan, D., Zengler, K.: Adaptive laboratory evolution—harnessing the power of biology for metabolic engineering. Curr. Opin. Biotechnol. 22, 590–594 (2011) Portnoy, V.A., Bezdan, D., Zengler, K.: Adaptive laboratory evolution—harnessing the power of biology for metabolic engineering. Curr. Opin. Biotechnol. 22, 590–594 (2011)
101.
Zurück zum Zitat Price, N.D., Famili, I., Beard, D.A., Palsson, B.O.: Extreme pathways and Kirchhoff’s second law. Biophys. J. 83, 2879–2882 (2002) Price, N.D., Famili, I., Beard, D.A., Palsson, B.O.: Extreme pathways and Kirchhoff’s second law. Biophys. J. 83, 2879–2882 (2002)
102.
Zurück zum Zitat Price, N.D., Papin, J.A., Schilling, C.H., Palsson, B.O.: Genome-scale microbial in silico models: the constraints-based approach. Trends Biotechnol. 21, 162–169 (2003) Price, N.D., Papin, J.A., Schilling, C.H., Palsson, B.O.: Genome-scale microbial in silico models: the constraints-based approach. Trends Biotechnol. 21, 162–169 (2003)
103.
Zurück zum Zitat Price, N.D., Reed, J.L., Palsson, B.O.: Genome-scale models of microbial cells: evaluating the consequences of constraints. Nat. Rev. Microbiol. 2, 886–897 (2004) Price, N.D., Reed, J.L., Palsson, B.O.: Genome-scale models of microbial cells: evaluating the consequences of constraints. Nat. Rev. Microbiol. 2, 886–897 (2004)
104.
Zurück zum Zitat Ranganathan, S., Suthers, P.F., Maranas, C.D.: OptForce: an optimization procedure for identifying all genetic manipulations leading to targeted overproductions. PLoS Comput. Biol. 6(4), e1000744 (2010) Ranganathan, S., Suthers, P.F., Maranas, C.D.: OptForce: an optimization procedure for identifying all genetic manipulations leading to targeted overproductions. PLoS Comput. Biol. 6(4), e1000744 (2010)
105.
Zurück zum Zitat Reder, C.: Metabolic control theory: a structural approach. J. Theor. Biol. 135, 175–201 (1986) MathSciNet Reder, C.: Metabolic control theory: a structural approach. J. Theor. Biol. 135, 175–201 (1986) MathSciNet
106.
Zurück zum Zitat Reed, J.L.: Shrinking the metabolic solution space using experimental datasets. PLoS Comput. Biol. 8, e1002662 (2012) Reed, J.L.: Shrinking the metabolic solution space using experimental datasets. PLoS Comput. Biol. 8, e1002662 (2012)
107.
Zurück zum Zitat Reed, J.L., Palsson, B.O.: Genome-scale in silico models of E. coli have multiple equivalent phenotypic states: assessment of correlated reaction subsets that comprise network states. Genome Res. 14, 1797–1805 (2004) Reed, J.L., Palsson, B.O.: Genome-scale in silico models of E. coli have multiple equivalent phenotypic states: assessment of correlated reaction subsets that comprise network states. Genome Res. 14, 1797–1805 (2004)
108.
Zurück zum Zitat Rocha, I., Maia, P., Evangelista, P., Vilaca, P., Soares, S., Pinto, J.P., Nielsen, J., Patil, K.R., Ferreira, E.C., Rocha, M.: OptFlux: an open-source software platform for in silico metabolic engineering. BMC Syst. Biol. 4, 45 (2010) Rocha, I., Maia, P., Evangelista, P., Vilaca, P., Soares, S., Pinto, J.P., Nielsen, J., Patil, K.R., Ferreira, E.C., Rocha, M.: OptFlux: an open-source software platform for in silico metabolic engineering. BMC Syst. Biol. 4, 45 (2010)
109.
Zurück zum Zitat Rockafellar, R.T.: Convex Analysis. University Press (1970) Rockafellar, R.T.: Convex Analysis. University Press (1970)
110.
Zurück zum Zitat Sauro, H.M., Hucka, M., Finney, A., Wellock, C., Bolouri, H., Doyle, J., Kitano, H.: Next generation simulation tools: the systems biology workbench and BioSPICE integration. Omics. J. Integr. Biol. 7, 355–372 (2004) Sauro, H.M., Hucka, M., Finney, A., Wellock, C., Bolouri, H., Doyle, J., Kitano, H.: Next generation simulation tools: the systems biology workbench and BioSPICE integration. Omics. J. Integr. Biol. 7, 355–372 (2004)
111.
Zurück zum Zitat Schellenberger, J., Park, J.O., Conrad, T.M., Palsson, B.O.: BiGG: a biochemical genetic and genomic knowledgebase of large scale metabolic reconstructions. BMC Bioinform. 11, 213 (2010) Schellenberger, J., Park, J.O., Conrad, T.M., Palsson, B.O.: BiGG: a biochemical genetic and genomic knowledgebase of large scale metabolic reconstructions. BMC Bioinform. 11, 213 (2010)
112.
Zurück zum Zitat Schellenberger, J., Lewis, N.E., Palsson, B.O.: Elimination of thermodynamically infeasible loops in steady-state metabolic models. Biophys. J. 100, 544–553 (2011) Schellenberger, J., Lewis, N.E., Palsson, B.O.: Elimination of thermodynamically infeasible loops in steady-state metabolic models. Biophys. J. 100, 544–553 (2011)
113.
Zurück zum Zitat Schellenberger, J., Que, R., Fleming, R.M., Thiele, I., Orth, J.D., Feist, A.M., Zielinski, D.C., Bordbar, A., Lewis, N.E., Rahmanian, S., Kang, J., Hyduke, D.R., Palsson, B.O.: Quantitative prediction of cellular metabolism with constraint-based models: the COBRA Toolbox v2.0. Nat. Protoc. 6, 1290–1307 (2011) Schellenberger, J., Que, R., Fleming, R.M., Thiele, I., Orth, J.D., Feist, A.M., Zielinski, D.C., Bordbar, A., Lewis, N.E., Rahmanian, S., Kang, J., Hyduke, D.R., Palsson, B.O.: Quantitative prediction of cellular metabolism with constraint-based models: the COBRA Toolbox v2.0. Nat. Protoc. 6, 1290–1307 (2011)
114.
Zurück zum Zitat Schilling, C.H., Letscher, D., Palsson, B.O.: Theory for the systemic definition of metabolic pathways and their use in interpreting metabolic function from a pathway-oriented perspective. J. Theor. Biol. 203, 229–248 (2000) Schilling, C.H., Letscher, D., Palsson, B.O.: Theory for the systemic definition of metabolic pathways and their use in interpreting metabolic function from a pathway-oriented perspective. J. Theor. Biol. 203, 229–248 (2000)
115.
Zurück zum Zitat Schuetz, R., Kuepfer, L., Sauer, U.: Systematic evaluation of objective functions for predicting intracellular fluxes in Escherichia coli. Mol. Syst. Biol. 3, 119 (2007) Schuetz, R., Kuepfer, L., Sauer, U.: Systematic evaluation of objective functions for predicting intracellular fluxes in Escherichia coli. Mol. Syst. Biol. 3, 119 (2007)
116.
Zurück zum Zitat Schuetz, R., Zamboni, N., Zampieri, M., Heinemann, M., Sauer, U.: Multidimensional optimality of microbial metabolism. Science 336, 601–604 (2012) Schuetz, R., Zamboni, N., Zampieri, M., Heinemann, M., Sauer, U.: Multidimensional optimality of microbial metabolism. Science 336, 601–604 (2012)
117.
Zurück zum Zitat Schuster, S., Hilgetag, C.: On elementary flux modes in biochemical reaction systems at steady state. J. Biol. Syst. 2, 165–182 (1994) Schuster, S., Hilgetag, C.: On elementary flux modes in biochemical reaction systems at steady state. J. Biol. Syst. 2, 165–182 (1994)
118.
Zurück zum Zitat Schuster, S., Fell, D.A., Dandekar, T.: A general definition of metabolic pathways useful for systematic organization and analysis of complex metabolic networks. Nat. Biotechnol. 18, 326–332 (2000) Schuster, S., Fell, D.A., Dandekar, T.: A general definition of metabolic pathways useful for systematic organization and analysis of complex metabolic networks. Nat. Biotechnol. 18, 326–332 (2000)
119.
Zurück zum Zitat Schuster, S., Klamt, S., Weckwerth, W., Moldenhauer, F., Pfeiffer, T.: Use of network analysis of metabolic systems in bioengineering. Bioprocess Biosyst. Eng. 24, 363–372 (2002) Schuster, S., Klamt, S., Weckwerth, W., Moldenhauer, F., Pfeiffer, T.: Use of network analysis of metabolic systems in bioengineering. Bioprocess Biosyst. Eng. 24, 363–372 (2002)
120.
Zurück zum Zitat Schuster, S., Pfeiffer, T., Fell, D.A.: Is maximization of molar yield in metabolic networks favoured by evolution? J. Theor. Biol. 252, 497–504 (2008) MathSciNet Schuster, S., Pfeiffer, T., Fell, D.A.: Is maximization of molar yield in metabolic networks favoured by evolution? J. Theor. Biol. 252, 497–504 (2008) MathSciNet
121.
Zurück zum Zitat Schwarz, R., Musch, P., von Kamp, A., Engels, B., Schirmer, H., Schuster, S., Dandekar, T.: YANA—a software tool for analyzing flux modes, gene-expression and enzyme activities. BMC Bioinform. 6, 135 (2005) Schwarz, R., Musch, P., von Kamp, A., Engels, B., Schirmer, H., Schuster, S., Dandekar, T.: YANA—a software tool for analyzing flux modes, gene-expression and enzyme activities. BMC Bioinform. 6, 135 (2005)
122.
Zurück zum Zitat Schwender, J., Goffman, F., Ohlrogge, J.B., Shachar-Hill, Y.: Rubisco without the Calvin cycle improves the carbon efficiency of developing green seeds. Nature 432, 779–782 (2004) Schwender, J., Goffman, F., Ohlrogge, J.B., Shachar-Hill, Y.: Rubisco without the Calvin cycle improves the carbon efficiency of developing green seeds. Nature 432, 779–782 (2004)
123.
Zurück zum Zitat Segre, D., Vitkup, D., Church, G.M.: Analysis of optimality in natural and perturbed metabolic networks. Proc. Natl. Acad. Sci. 99, 15112–15117 (2002) Segre, D., Vitkup, D., Church, G.M.: Analysis of optimality in natural and perturbed metabolic networks. Proc. Natl. Acad. Sci. 99, 15112–15117 (2002)
124.
Zurück zum Zitat Shinar, G., Feinberg, M.: Structural sources of robustness in biochemical reaction networks. Science 327, 1389–1391 (2010) Shinar, G., Feinberg, M.: Structural sources of robustness in biochemical reaction networks. Science 327, 1389–1391 (2010)
125.
Zurück zum Zitat Shlomi, T., Berkman, O., Ruppin, E.: Regulatory on/off minimization of metabolic flux changes after genetic perturbations. Proc. Natl. Acad. Sci. 24, 7695–7700 (2005) Shlomi, T., Berkman, O., Ruppin, E.: Regulatory on/off minimization of metabolic flux changes after genetic perturbations. Proc. Natl. Acad. Sci. 24, 7695–7700 (2005)
126.
Zurück zum Zitat Shlomi, T., Eisenberg, Y., Sharan, R., Ruppin, E.: A genome-scale computational study of the interplay between transcriptional regulation and metabolism. Mol. Syst. Biol. 3, 101 (2007) Shlomi, T., Eisenberg, Y., Sharan, R., Ruppin, E.: A genome-scale computational study of the interplay between transcriptional regulation and metabolism. Mol. Syst. Biol. 3, 101 (2007)
127.
Zurück zum Zitat Shlomi, T., Cabili, M., Herrgard, M., Palsson, B.O., Ruppin, E.: Network-based prediction of human tissue-specific metabolism. Nat. Biotechnol. 26, 1003–1010 (2008) Shlomi, T., Cabili, M., Herrgard, M., Palsson, B.O., Ruppin, E.: Network-based prediction of human tissue-specific metabolism. Nat. Biotechnol. 26, 1003–1010 (2008)
128.
Zurück zum Zitat Stelling, J., Klamt, S., Bettenbrock, K., Schuster, S., Gilles, E.D.: Metabolic network structure determines key aspects of functionality and regulation. Nature 420, 190–193 (2002) Stelling, J., Klamt, S., Bettenbrock, K., Schuster, S., Gilles, E.D.: Metabolic network structure determines key aspects of functionality and regulation. Nature 420, 190–193 (2002)
129.
Zurück zum Zitat Stephanopoulos, G.N., Aristidou, A.A., Nielsen, J.: Metabolic Engineering. Academic Press, San Diego (1998) Stephanopoulos, G.N., Aristidou, A.A., Nielsen, J.: Metabolic Engineering. Academic Press, San Diego (1998)
130.
Zurück zum Zitat Strang, G.: Linear Algebra and Its Applications. Academic Press, New York (1980) Strang, G.: Linear Algebra and Its Applications. Academic Press, New York (1980)
131.
Zurück zum Zitat Strogatz, S.H.: Exploring complex networks. Nature 410, 268–276 (2001) Strogatz, S.H.: Exploring complex networks. Nature 410, 268–276 (2001)
132.
Zurück zum Zitat Suthers, P.F., Zomorrodi, A., Maranas, C.D.: Genome-scale gene/reaction essentiality and synthetic lethality analysis. Mol. Syst. Biol. 5, 301 (2009) Suthers, P.F., Zomorrodi, A., Maranas, C.D.: Genome-scale gene/reaction essentiality and synthetic lethality analysis. Mol. Syst. Biol. 5, 301 (2009)
133.
Zurück zum Zitat Tepper, N., Shlomi, T.: Predicting metabolic engineering knockout strategies for chemical production: accounting for competing pathways. Bioinformatics 26, 536–543 (2010) Tepper, N., Shlomi, T.: Predicting metabolic engineering knockout strategies for chemical production: accounting for competing pathways. Bioinformatics 26, 536–543 (2010)
134.
Zurück zum Zitat Terzer, M., Stelling, J.: Large-scale computation of elementary flux modes with bit pattern trees. Bioinformatics 24, 2229–2235 (2008) Terzer, M., Stelling, J.: Large-scale computation of elementary flux modes with bit pattern trees. Bioinformatics 24, 2229–2235 (2008)
135.
Zurück zum Zitat Thiele, I., Palsson, B.O.: A protocol for generating a high-quality genome-scale metabolic reconstruction. Nat. Protoc. 5, 93–121 (2010) Thiele, I., Palsson, B.O.: A protocol for generating a high-quality genome-scale metabolic reconstruction. Nat. Protoc. 5, 93–121 (2010)
136.
Zurück zum Zitat Trinh, C.T., Srienc, F.: Metabolic engineering of Escherichia coli for efficient conversion of glycerol to ethanol. Appl. Environ. Microbiol. 75, 6696–6705 (2009) Trinh, C.T., Srienc, F.: Metabolic engineering of Escherichia coli for efficient conversion of glycerol to ethanol. Appl. Environ. Microbiol. 75, 6696–6705 (2009)
137.
Zurück zum Zitat Trinh, C.T., Carlson, R., Wlaschin, A., Srienc, F.: Design, construction and performance of the most efficient biomass producing E. coli bacterium. Metab. Eng. 8, 628–638 (2006) Trinh, C.T., Carlson, R., Wlaschin, A., Srienc, F.: Design, construction and performance of the most efficient biomass producing E. coli bacterium. Metab. Eng. 8, 628–638 (2006)
138.
Zurück zum Zitat Trinh, C.T., Unrean, P., Srienc, F.: Minimal Escherichia coli cell for the most efficient production of ethanol from hexoses and pentoses. Appl. Environ. Microbiol. 74, 3634–3643 (2008) Trinh, C.T., Unrean, P., Srienc, F.: Minimal Escherichia coli cell for the most efficient production of ethanol from hexoses and pentoses. Appl. Environ. Microbiol. 74, 3634–3643 (2008)
139.
Zurück zum Zitat Trinh, C.T., Wlaschin, A., Srienc, F.: Elementary mode analysis: a useful metabolic pathway analysis tool for characterizing cellular metabolism. Appl. Microbiol. Biotechnol. 81, 813–826 (2009) Trinh, C.T., Wlaschin, A., Srienc, F.: Elementary mode analysis: a useful metabolic pathway analysis tool for characterizing cellular metabolism. Appl. Microbiol. Biotechnol. 81, 813–826 (2009)
140.
Zurück zum Zitat Unrean, P., Trinh, C.T., Srienc, F.: Rational design and construction of an efficient E. coli for production of diapolycopendioic acid. Metab. Eng. 12, 112–122 (2010) Unrean, P., Trinh, C.T., Srienc, F.: Rational design and construction of an efficient E. coli for production of diapolycopendioic acid. Metab. Eng. 12, 112–122 (2010)
141.
Zurück zum Zitat Urbanczik, R., Wagner, C.: An improved algorithm for stoichiometric network analysis: theory and applications. Bioinformatics 21, 1203–1210 (2005) Urbanczik, R., Wagner, C.: An improved algorithm for stoichiometric network analysis: theory and applications. Bioinformatics 21, 1203–1210 (2005)
142.
Zurück zum Zitat Van Berlo, R.J., de Ridder, D., Daran, J.M., Daran-Lapujade, P.A., Teusink, B., Reinders, M.J.: Predicting metabolic fluxes using gene expression differences as constraints. IEEE/ACM Trans. Comput. Biol. Bioinform. 8, 206–216 (2011) Van Berlo, R.J., de Ridder, D., Daran, J.M., Daran-Lapujade, P.A., Teusink, B., Reinders, M.J.: Predicting metabolic fluxes using gene expression differences as constraints. IEEE/ACM Trans. Comput. Biol. Bioinform. 8, 206–216 (2011)
143.
Zurück zum Zitat Van der Heijden, R.T.J.M., Heijnen, J.J., Hellinga, C., Romein, B., Luyben, K.Ch.A.M.: Linear constraint relations in biochemical reaction systems: I. Classification of the calculability and the balanceability of conversion rates. Biotechnol. Bioeng. 43, 3–10 (1994) Van der Heijden, R.T.J.M., Heijnen, J.J., Hellinga, C., Romein, B., Luyben, K.Ch.A.M.: Linear constraint relations in biochemical reaction systems: I. Classification of the calculability and the balanceability of conversion rates. Biotechnol. Bioeng. 43, 3–10 (1994)
144.
Zurück zum Zitat Varma, A., Palsson, B.O.: Stoichiometric flux balance models quantitatively predict growth and metabolic by-product secretion in wild-type Escherichia coli W3110. Appl. Environ. Microbiol. 60, 3724–3731 (1994) Varma, A., Palsson, B.O.: Stoichiometric flux balance models quantitatively predict growth and metabolic by-product secretion in wild-type Escherichia coli W3110. Appl. Environ. Microbiol. 60, 3724–3731 (1994)
145.
Zurück zum Zitat Varma, A., Boesch, B.W., Palsson, B.O.: Biochemical production capabilities of Escherichia coli. Biotechnol. Bioeng. 42, 59–73 (1993) Varma, A., Boesch, B.W., Palsson, B.O.: Biochemical production capabilities of Escherichia coli. Biotechnol. Bioeng. 42, 59–73 (1993)
146.
Zurück zum Zitat von Kamp, A., Schuster, S.: Metatool 5.0: fast and flexible elementary modes analysis. Bioinformatics 22, 1930–1931 (2006) von Kamp, A., Schuster, S.: Metatool 5.0: fast and flexible elementary modes analysis. Bioinformatics 22, 1930–1931 (2006)
147.
Zurück zum Zitat Watts, D.J., Strogatz, S.H.: Collective dynamics of ‘small-world’ networks. Nature 393, 409–410 (1998) Watts, D.J., Strogatz, S.H.: Collective dynamics of ‘small-world’ networks. Nature 393, 409–410 (1998)
148.
Zurück zum Zitat Wiback, S.J., Mahadevan, R., Palsson, B.O.: Reconstructing metabolic flux vectors from extreme pathways: defining the alpha-spectrum. J. Theor. Biol. 224, 313–324 (2003) MathSciNet Wiback, S.J., Mahadevan, R., Palsson, B.O.: Reconstructing metabolic flux vectors from extreme pathways: defining the alpha-spectrum. J. Theor. Biol. 224, 313–324 (2003) MathSciNet
149.
Zurück zum Zitat Wiechert, W.: 13C metabolic flux analysis. Metab. Eng. 3, 195–206 (2001) Wiechert, W.: 13C metabolic flux analysis. Metab. Eng. 3, 195–206 (2001)
150.
Zurück zum Zitat Wolf, J., Passarge, J., Somsen, O.J.G., Snoep, J.L., Heinrich, R., Westerhoff, H.V.: Transduction of intracellular and intercellular dynamics in yeast glycolytic oscillations. Biophys. J. 78, 1145–1153 (2000) Wolf, J., Passarge, J., Somsen, O.J.G., Snoep, J.L., Heinrich, R., Westerhoff, H.V.: Transduction of intracellular and intercellular dynamics in yeast glycolytic oscillations. Biophys. J. 78, 1145–1153 (2000)
151.
Zurück zum Zitat Yim, H., et al.: Metabolic engineering of Escherichia coli for direct production of 1, 4-butanediol. Nat. Chem. Biol. 7, 445–452 (2011) Yim, H., et al.: Metabolic engineering of Escherichia coli for direct production of 1, 4-butanediol. Nat. Chem. Biol. 7, 445–452 (2011)
Metadaten
Titel
Stoichiometric and Constraint-Based Analysis of Biochemical Reaction Networks
verfasst von
Steffen Klamt
Oliver Hädicke
Axel von Kamp
Copyright-Jahr
2014
DOI
https://doi.org/10.1007/978-3-319-08437-4_5