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

被引:0
|
作者
Hansmann, UHE [1 ]
Okamoto, Y
机构
[1] Michigan Technol Univ, Dept Phys, Houghton, MI 49931 USA
[2] Inst Mol Sci, Dept Theoret Studies, Okazaki, Aichi 4448585, Japan
[3] Grad Univ Adv Studies, Dept Funct Mol Sci, Okazaki, Aichi 4448585, Japan
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中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We review uses of Tsallis statistical mechanics in the protein folding problem. Monte Carlo simulated annealing algorithm and generalized-ensemble algorithm with both Monte Carlo and stochastic dynamics algorithms are discussed. 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 conformation 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.
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页码:187 / 198
页数:12
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