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arXiv · 1007.0315

A simple theory of protein folding kinetics

Vijay S. Pande
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Abstract

We present a simple model of protein folding dynamics that captures key qualitative elements recently seen in all-atom simulations. The goals of this theory are to serve as a simple formalism for gaining deeper insight into the physical properties seen in detailed simulations as well as to serve as a model to easily compare why these simulations suggest a different kinetic mechanism than previous simple models. Specifically, we find that non-native contacts play a key role in determining the mechanism, which can shift dramatically as the energetic strength of non-native interactions is changed. For protein-like non-native interactions, our model finds that the native state is a kinetic hub, connecting the strength of relevant interactions directly to the nature of folding kinetics.

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Vijay S. Pande. 2010-07-02. A simple theory of protein folding kinetics. https://doi.org/10.1103/physrevlett.105.198101

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