A general framework for thermodynamically consistent parameterization and efficient sampling of enzymatic reactions.

ABSTRACT: Kinetic models provide the means to understand and predict the dynamic behaviour of enzymes upon different perturbations. Despite their obvious advantages, classical parameterizations require large amounts of data to fit their parameters. Particularly, enzymes displaying complex reaction and regulatory (allosteric) mechanisms require a great number of parameters and are therefore often represented by approximate formulae, thereby facilitating the fitting but ignoring many real kinetic behaviours. Here, we show that full exploration of the plausible kinetic space for any enzyme can be achieved using sampling strategies provided a thermodynamically feasible parameterization is used. To this end, we developed a General Reaction Assembly and Sampling Platform (GRASP) capable of consistently pa

SUBMITTER: Saa P 

PROVIDER: S-EPMC4397067 | biostudies-literature | 2015 Apr

REPOSITORIES: biostudies-literature