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Self-affine analysis of protein energy

Author

Listed:
  • Figueirêdo, P.H.
  • Moret, M.A.
  • Pascutti, P.G.
  • Nogueira, E.
  • Coutinho, S.

Abstract

We study the time series of the total energy of polypeptides and proteins. These time series were generated by molecular dynamics methods and analyzed by applying detrended fluctuation analysis to estimate the long-range power-law correlation, i.e. to measure scaling exponents α. Such exponents were calculated for all systems and their values follow environment conditions, i.e., they are temperature dependent and also, in a continuum medium approach, vary according to the dielectric constants (we simulated ϵ=2 and ϵ=80). The procedure was applied to investigate polyalanines, and other realistic models of proteins (Insect Defensin A and Hemoglobin). The present findings exhibit results that are consistent with previous ones obtained by other methodologies.

Suggested Citation

  • Figueirêdo, P.H. & Moret, M.A. & Pascutti, P.G. & Nogueira, E. & Coutinho, S., 2010. "Self-affine analysis of protein energy," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 389(13), pages 2682-2686.
    • Handle: RePEc:eee:phsmap:v:389:y:2010:i:13:p:2682-2686
    DOI: 10.1016/j.physa.2010.03.021
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    Citations

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    Cited by:

    1. Filho, A.S. Nascimento & Araújo, M.L.V. & Miranda, J.G.V. & Murari, T.B. & Saba, H. & Moret, M.A., 2018. "Self-affinity and self-organized criticality applied to the relationship between the economic arrangements and the dengue fever spread in Bahia," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 502(C), pages 619-628.
    2. Santos, J.V.C. & Moreira, D.M. & Moret, M.A. & Nascimento, E.G.S., 2019. "Analysis of long-range correlations of wind speed in different regions of Bahia and the Abrolhos Archipelago, Brazil," Energy, Elsevier, vol. 167(C), pages 680-687.
    3. Santos, José Vicente Cardoso & Perini, Noéle Bissoli & Moret, Marcelo Albano & Nascimento, Erick Giovani Sperandio & Moreira, Davidson Martins, 2021. "Scaling behavior of wind speed in the coast of Brazil and the South Atlantic Ocean: The crossover phenomenon," Energy, Elsevier, vol. 217(C).

    More about this item

    Keywords

    Protein packing; Self-affinity;

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