A pivoting algorithm for metabolic networks in the presence of thermodynamic constraints.
A linear programming algorithm is presented to constructively compute thermodynamically feasible fluxes and change in chemical potentials of reactions for a metabolic network. It is based on physical laws of mass conservation and the second law of thermodynamics that all chemical reactions should satisfy. As a demonstration, the algorithm has been applied to the core metabolic pathway of E. coli.
Nigam
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W.W. Hansen Experimental Physics Laboratory, Stanford University, Stanford, CA 94305-4085, USA. rakesh@quake.stanford.edu
Liang
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D000465:Algorithms; D003198:Computer Simulation; D004734:Energy Metabolism / Q000502:physiology*; D004926:Escherichia coli / Q000378:metabolism*; D029968:Escherichia coli Proteins / Q000378:metabolism*; D008954:Models, Biological; D015398:Signal Transduction / Q000502:physiology*; D013816:Thermodynamics
D029968:Escherichia coli Proteins