Recent results from generalized-ensemble protein-folding simulations

Document Type

Article

Publication Date

1-1-1999

Abstract

With the development of generalized-ensemble techniques, an efficient sampling of low-energy configurations and calculation of accurate low-temperature thermodynamic quantities became feasible for proteins and peptides. The generalized-ensemble technique utilized is related to Tsallis generalized mechanics formalism. It is used to examine the picture for the folding kinetics as proposed from the simulations of minimal models. For this purpose, the characteristic temperatures of folding for the pentapeptide Metenkephalin were investigated.

Publication Title

Computer Physics Communications

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