Variational theory for site resolved protein folding free energy surfaces

Details Variational theory for site resolved protein folding free energy surfaces Variational theory for site resolved protein folding free energy surfaces

1998-05-27

arxiv.org/abs/cond-mat/9805366v2

Phys. Rev. Lett. 81, 5237 (1998)

Physics

Condensed Matter

Soft Condensed Matter

5 pages, 3 figures, minor corrections, Published Version

Scientific paper

10.1103/PhysRevLett.81.5237

We present a microscopic variational theory for the free energy surface of a fast folding protein that allows folding kinetics to be resolved to the residue level using Debye-Waller factors as local order parameters. We apply the method to lambda-repressor and compare with site directed mutagenesis experiments. The formation of native structure and the free energy profile along the folding route are shown to be well described by the capillarity approximation but with some fine structure due to local folding topology.

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