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Please use this identifier to cite or link to this item: http://repositorio.ufba.br/ri/handle/ri/5784

Title: Multifractal analysis of polyalanines time series
Other Titles: Physica A-Statistical Mechanics And Its Applications
Authors: Figueirêdo, P. H.
Nogueira Júnior, E.
Moret, M. A.
Coutinho, Sérgio
Keywords: Time series;Self-affinity;Protein folding;Energy landscape
Issue Date: 2010
Abstract: Multifractal properties of the energy time series of short -helix structures, specifically from a polyalanine family, are investigated through the MF-DFA technique (multifractal detrended fluctuation analysis). Estimates for the generalized Hurst exponent h.q/ and its associated multifractal exponents .q/ are obtained for several series generated by numerical simulations of molecular dynamics in different systems from distinct initial conformations. All simulations were performed using the GROMOS force field, implemented in the program THOR. The main results have shown that all series exhibit multifractal behavior depending on the number of residues and temperature. Moreover, the multifractal spectra reveal important aspects of the time evolution of the system and suggest that the nucleation process of the secondary structures during the visits on the energy hyper-surface is an essential feature of the folding process.
Description: Acesso restrito: Texto completo. p. 2090-2095
URI: http://www.repositorio.ufba.br/ri/handle/ri/5784
ISSN: 0378-4371
Appears in Collections:Artigos Publicados em Periódicos (FIS)

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