Quantitative criteria for native energetic heterogeneity influences in the prediction of protein folding kinetics.

ABSTRACT: Energy landscape theory requires that the protein-folding mechanism is generally globally directed or funneled toward the native state. The collective nature of transition state ensembles further suggests that sufficient averaging of the native interactions can occur so that the knowledge of the native topology may suffice for predicting the mechanism. Nevertheless, while simple homogeneously weighted native topology-based models predict the folding mechanisms for many proteins, for other proteins knowledge of the native topology, by itself, seems not to suffice in determining the folding mechanism. Simulations of proteins with differing topologies reveal that the failure of homogeneously weighted topology-based models can, however, be completely understood within the framework of a funnel

SUBMITTER: Cho SS 

PROVIDER: S-EPMC2626720 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature