Bridging the gap: linking molecular simulations and systemic descriptions of cellular compartments.

ABSTRACT: Metabolic processes in biological cells are commonly either characterized at the level of individual enzymes and metabolites or at the network level. Often these two paradigms are considered as mutually exclusive because concepts from neither side are suited to describe the complete range of scales. Additionally, when modeling metabolic or regulatory cellular systems, often a large fraction of the required kinetic parameters are unknown. This even applies to such simple and extensively studied systems like the photosynthetic apparatus of purple bacteria. Using the chromatophore vesicles of Rhodobacter sphaeroides as a model system, we show that a consistent kinetic model emerges when fitting the dynamics of a molecular stochastic simulation to a set of time dependent experiments even thoug

SUBMITTER: Geyer T 

PROVIDER: S-EPMC2989909 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature