Folding Mechanism of Small Proteins

Details Folding Mechanism of Small Proteins Folding Mechanism of Small Proteins

2003-06-20

arxiv.org/abs/cond-mat/0306517v1

Journal of Chemical Physics 120 (2004) 8271-8276

Physics

Condensed Matter

Statistical Mechanics

11 pages, 4 figures

Scientific paper

10.1063/1.1689643

Extensive Monte Carlo folding simulations for four proteins of various structural classes are carried out, using a single atomistic potential. In all cases, collapse occurs at a very early stage, and proteins fold into their native-like conformations at appropriate temperatures. The results demonstrate that the folding mechanism is controlled not only by thermodynamic factors but also by kinetic factors: The way a protein folds into its native structure, is also determined by the convergence point of early folding trajectories, which cannot be obtained by the free energy surface.

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