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See detailA variational principle for computing nonequilibrium fluxes and potentials in genome-scale biochemical networks
Fleming, Ronan MT UL; Maes, C. M.; Saunders, M. A. et al

in Journal of Theoretical Biology (2012), 292

We derive a convex optimization problem on a steady-state no nequilibrium network of biochemical reactions, with the property that energy conservation and the second law of thermodynamics both hold at the ... [more ▼]

We derive a convex optimization problem on a steady-state no nequilibrium network of biochemical reactions, with the property that energy conservation and the second law of thermodynamics both hold at the problem solution. This suggests a new variational principle for biochemical networks that can be implemented in a computationally tractable manner. We derive the Lagrange dual of the optimization problem and use strong duality to demonstrate that a biochemical analogue of Tellegen’s theorem holds at optimality. Each optimal flux is dependent on a free parameter that we relate to an elementary kinetic parameter when mass action kinetics is assumed. [less ▲]

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