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Use este identificador para citar ou linkar para este item: https://repositorio.ufba.br/handle/ri/5784
Tipo: Artigo de Periódico
Título: Multifractal analysis of polyalanines time series
Título(s) alternativo(s): Physica A-Statistical Mechanics And Its Applications
Autor(es): Figueirêdo, P. H.
Nogueira Júnior, E.
Moret, M. A.
Coutinho, Sérgio
Autor(es): Figueirêdo, P. H.
Nogueira Júnior, E.
Moret, M. A.
Coutinho, Sérgio
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.
Palavras-chave: Time series
Self-affinity
Protein folding
Energy landscape
URI: http://www.repositorio.ufba.br/ri/handle/ri/5784
Data do documento: 2010
Aparece nas coleções:Artigo Publicado em Periódico (FIS)

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