Tackling the protein folding problem by a generalized-ensemble approach with Tsallis statistics

Citation
Uhe. Hansmann et Y. Okamoto, Tackling the protein folding problem by a generalized-ensemble approach with Tsallis statistics, BRAZ J PHYS, 29(1), 1999, pp. 187-198
Citations number
46
Categorie Soggetti
Physics
Journal title
BRAZILIAN JOURNAL OF PHYSICS
ISSN journal
01039733 → ACNP
Volume
29
Issue
1
Year of publication
1999
Pages
187 - 198
Database
ISI
SICI code
0103-9733(199903)29:1<187:TTPFPB>2.0.ZU;2-C
Abstract
We review uses of Tsallis statistical mechanics in the protein folding prob lem. Monte Carlo simulated annealing algorithm and generalized-ensemble alg orithm with both Monte Carlo and stochastic dynamics algorithms are discuss ed. Simulations by these algorithms are performed for a penta peptide, Met- enkephalin. In particular, for generalized-ensemble algorithms, it is shown that from only one simulation run one can find the global-minimum-energy c onformation and obtain probability distributions in canonical ensemble for a wide temperature range, which allows the calculation of any thermodynamic quantity as a function of temperature.