Phys. Rev. Lett. 81, 5237–5240 (1998)Variational Theory for Site Resolved Protein Folding Free Energy SurfacesReceived 28 May 1998; published in the issue dated 7 December 1998 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 the λ-repressor protein 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. © 1998 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.81.5237
DOI:
10.1103/PhysRevLett.81.5237
PACS:
87.15.-v
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