Tackling the protein folding problem by a generalized-ensemble approach with Tsallis statistics
Document Type
Article
Publication Date
1-1-1999
Abstract
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.
Publication Title
Brazilian Journal of Physics
Recommended Citation
Hansmann, U.,
&
Okamoto, Y.
(1999).
Tackling the protein folding problem by a generalized-ensemble approach with Tsallis statistics.
Brazilian Journal of Physics,
29(1), 187-198.
http://doi.org/10.1590/S0103-97331999000100017
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/13582