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Heterogeneity of the folding mechanism : testing the predictions of free energy functional theory Oztop, Baris

Abstract

The free energy functional theory of protein folding presents a framework to explain the effects of heterogeneity in the folding mechanism. These heterogeneity effects introduce changes in the folding free energy barriers that govern the rates for 2-state folding proteins. Here in this thesis, we focused on checking the validity of the predictions of free energy functional theory by using the data from simulations of Cα , Gō proteins and from experiments. Our results show that folding rates correlate with the degree of heterogeneity in the formation of native contacts for both simulated structures and real proteins.

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