Protein energy landscapes as studied by a generalized-ensemble approach with Tsallis statistics
Document Type
Article
Publication Date
3-1-2002
Abstract
The free energy landscapes of a small peptide were calculated as a function of a suitable reaction coordinate for a large temperature range. Generalized-ensemble simulations, based on Tsallis generalized statistical mechanics were used for calculations. A set of characteristic temperatures for peptide were determined. The fractal dimension of these energy landscapes also measured. The fractal dimension d(T) as a function of temperature was shown to be sensitive to thermodynamic transitions in the molecules.
Publication Title
Chaos, Solitons and Fractals
Recommended Citation
Hansmann, U.
(2002).
Protein energy landscapes as studied by a generalized-ensemble approach with Tsallis statistics.
Chaos, Solitons and Fractals,
13(3), 507-512.
http://doi.org/10.1016/S0960-0779(01)00033-9
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/7637