Beck C, Siemens X
Molecular Modeling Laboratory, Department of Physics and Astronomy, Tufts University, Medford, Massachusetts 02155, USA.
Phys Rev E Stat Nonlin Soft Matter Phys. 2001 Nov;64(5 Pt 1):052902. doi: 10.1103/PhysRevE.64.052902. Epub 2001 Oct 24.
In the diffusion-collision model, the unfolding rates are given by the likelihood of secondary structural cluster dissociation. In this work, we introduce an unfolding rate calculation for proteins whose secondary structural elements are alpha helices, modeled from thermal escape over a barrier that arises from the free energy in buried hydrophobic residues. Our results are in good agreement with currently accepted values for the attempt rate.
