title: Constraining the flux space using thermodynamics and integration of metabolomics data.
abstract: Flux balance analysis of stoichiometric metabolic models has become one of the most common methods for estimating intracellular fluxes. However most of these networks are underdetermined and can have multiple alternate optimal flux distributions. Thermodynamic constraints can reduce the solution space significantly and at the same time provide a platform for the integration of metabolomics data. Here we go through the procedure to incorporate thermodynamic constraints and perform thermodynamic analysis of metabolic networks.
authors.affiliation: École Polytechnique Fédérale de Lausanne (EFPL), Lausanne, Switzerland.
authors.forename: Keng Cher
authors.initials: KC
authors.lastname: Soh
authors.forename: Vassily
authors.initials: V
authors.lastname: Hatzimanikatis
mesh_terms: D064688:Metabolic Flux Analysis / Q000379:methods*; D008660:Metabolism / Q000502:physiology*; D055432:Metabolomics / Q000379:methods*; D008954:Models, Biological; D015394:Molecular Structure; D010732:Phosphofructokinase-1 / Q000737:chemistry; D013045:Species Specificity; D013816:Thermodynamics
chemical_list: D010732:Phosphofructokinase-1