Folding Mechanism of Small Proteins
نویسندگان
چکیده
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. PACS numbers: 87.14.Ee, 87.15.−v, 05.20.Dd, 05.70.−a ∗ correspondence to: [email protected]
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