Artigo de Periódico
Multifractal analysis of polyalanines time series
Fecha
2010Registro en:
0378-4371
v. 389, n. 10
Autor
Figueirêdo, P. H.
Nogueira Júnior, E.
Moret, M. A.
Coutinho, Sérgio
Figueirêdo, P. H.
Nogueira Júnior, E.
Moret, M. A.
Coutinho, Sérgio
Institución
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.