Thermodynamically consistent model calibration in chemical kinetics.

ABSTRACT:

Background

The dynamics of biochemical reaction systems are constrained by the fundamental laws of thermodynamics, which impose well-defined relationships among the reaction rate constants characterizing these systems. Constructing biochemical reaction systems from experimental observations often leads to parameter values that do not satisfy the necessary thermodynamic constraints. This can result in models that are not physically realizable and may lead to inaccurate, or even erroneous, descriptions of cellular function.

Results

We introduce a thermodynamically consistent model calibration (TCMC) method that can be effectively used to provide thermodynamically feasible values for the parameters of an open biochemical reaction system. The proposed method formulates the model

SUBMITTER: Jenkinson G 

PROVIDER: S-EPMC3117730 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature