title: A variational principle for computing nonequilibrium fluxes and potentials in genome-scale biochemical networks.
abstract: 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.
authors: Center for Systems Biology, University of Iceland, Sturlugata 8, Reykjavik 101, Iceland. ronan.mt.fleming@gmail.com
authors: R M T
authors: RM
authors: Fleming
authors: C M
authors: CM
authors: Maes
authors: M A
authors: MA
authors: Saunders
authors: Y
authors: Y
authors: Ye
authors: B Ø
authors: BØ
authors: Palsson
mesh_terms: D019277:Entropy; D016678:Genome; D006801:Humans; D053858:Metabolic Networks and Pathways / Q000502:physiology*; D008954:Models, Biological; D049490:Systems Biology / Q000379:methods; D013816:Thermodynamics