A variational principle for computing nonequilibrium fluxes and potentials in genome-scale biochemical networks

Details A variational principle for computing nonequilibrium fluxes and potentials in genome-scale biochemical networks A variational principle for computing nonequilibrium fluxes and potentials in genome-scale biochemical networks

2011-05-08

arxiv.org/abs/1105.1513v2

Biology

Quantitative Biology

Molecular Networks

17 pages, 1 figure

Scientific paper

We derive a convex optimization problem on a steady-state nonequilibrium 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.

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