title: Duality, thermodynamics, and the linear programming problem in constraint-based models of metabolism.
abstract: It is shown that the dual to the linear programming problem that arises in constraint-based models of metabolism can be given a thermodynamic interpretation in which the shadow prices are chemical potential analogues, and the objective is to minimize free energy consumption given a free energy drain corresponding to growth. The interpretation is distinct from conventional nonequilibrium thermodynamics, although it does satisfy a minimum entropy production principle. It can be used to motivate extensions of constraint-based modeling, for example, to microbial ecosystems.
authors.affiliation: Unilever R&D Port Sunlight, Bebington, Wirral, CH63 3JW, United Kingdom.
authors.forename: Patrick B
authors.initials: PB
authors.lastname: Warren
authors.forename: Janette L
authors.initials: JL
authors.lastname: Jones
mesh_terms: D000818:Animals; D001703:Biophysics / Q000379:methods*; D003600:Cytosol / Q000378:metabolism; D017753:Ecosystem; D019277:Entropy; D008660:Metabolism; D008954:Models, Biological; D015233:Models, Statistical; D008962:Models, Theoretical; D008970:Molecular Weight; D049490:Systems Biology; D013816:Thermodynamics