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• W1986409715 abstract "Protein folding is analyzed using a replica variational formalism to investigate some free energy landscape characteristics relevant for dynamics. A random contact interaction model that satisfies the minimum frustration principle is used to describe the coil-globule transition (characterized by ${mathrm{T}}_{mathrm{CG}}$), glass transitions (by ${mathrm{T}}_{mathrm{A}}$ and ${mathrm{T}}_{mathrm{K}}$), and folding transition (by ${mathrm{T}}_{mathrm{F}}$). Trapping on the free energy landscape is characterized by two characteristic temperatures, one dynamic (${mathrm{T}}_{mathrm{A}}$) and the other static [${mathrm{T}}_{mathrm{K}}$ (${mathrm{T}}_{mathrm{A}}$>${mathrm{T}}_{mathrm{K}}$)], which are similar to those found in mean field theories of the Potts glass. (i) Above ${mathrm{T}}_{mathrm{A}}$, the free energy landscape is monotonous and the polymer is melted both dynamically and statically. (ii) Between ${mathrm{T}}_{mathrm{A}}$ and ${mathrm{T}}_{mathrm{K}}$, the melted phase is still dominant thermodynamically, but frozen metastable states, exponentially large in number, appear. (iii) A few lowest minima become thermodynamically dominant below ${mathrm{T}}_{mathrm{K}}$, where the polymer is totally frozen. In the temperature range between ${mathrm{T}}_{mathrm{A}}$ and ${mathrm{T}}_{mathrm{K}}$, barriers between metastable states are shown to grow with decreasing temperature, suggesting super-Arrhenius behavior in a sufficiently large system. Due to evolutionary constraints on fast folding, the folding temperature ${mathrm{T}}_{mathrm{F}}$ is expected to be higher than ${mathrm{T}}_{mathrm{K}}$, but may or may not be higher than ${mathrm{T}}_{mathrm{A}}$. Diverse scenarios of the folding kinetics are discussed based on phase diagrams that take into account the dynamical transition, as well as the static ones." @default.
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• W1986409715 date "1997-04-01" @default.
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• W1986409715 title "Statics, metastable states, and barriers in protein folding: A replica variational approach" @default.
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• W1986409715 doi "https://doi.org/10.1103/physreve.55.4562" @default.
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