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https://repositorio.ufba.br/handle/ri/5784
metadata.dc.type: | Artigo de Periódico |
Título : | Multifractal analysis of polyalanines time series |
Otros títulos : | Physica A-Statistical Mechanics And Its Applications |
Autor : | Figueirêdo, P. H. Nogueira Júnior, E. Moret, M. A. Coutinho, Sérgio |
metadata.dc.creator: | Figueirêdo, P. H. Nogueira Júnior, E. Moret, M. A. Coutinho, Sérgio |
Resumen : | 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. |
Palabras clave : | Time series Self-affinity Protein folding Energy landscape |
URI : | http://www.repositorio.ufba.br/ri/handle/ri/5784 |
Fecha de publicación : | 2010 |
Aparece en las colecciones: | Artigo Publicado em Periódico (FIS) |
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