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.
Citation:
R. Nigam, S. Liang, "A Pivoting Algorithm for Metabolic Networks in the Presence of Thermodynamic Constraints," csb, pp.259-267, 2005 IEEE Computational Systems Bioinformatics Conference (CSB'05), 2005