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VIII. Protein Folding Simulations by a Generalized-Ensemble Algorithm Based on Tsallis Statistics

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Nonextensive Statistical Mechanics and Its Applications

Part of the book series: Lecture Notes in Physics ((LNP,volume 560))

Abstract

We review uses of Tsallis statistical mechanics as a generalized-ensemble simulation algorithm in the protein folding problem. A simulation based on this algorithm performs a random walk in energy space, and it allows one not only to find the global-minimum-energy conformation but also to obtain probability distributions in canonical ensemble for a wide temperature range from only one simulation run. The folding properties of a penta peptide, Met-enkephalin, are studied by this algorithm.

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Author information

Authors and Affiliations

  1. Department of Theoretical Studies, Institute for Molecular Science and Dept. of Funct. Mol. Sci., The Graduate University for Advanced Studies, Okazaki, 444-8585, Aichi, Japan

    Y. Okamoto

  2. Department of Physics, Michigan Technological University, 49931-1291, Houghton, MI, USA

    U.H.E. Hansmann

Authors
  1. Y. Okamoto
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  2. U.H.E. Hansmann
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Editor information

Editors and Affiliations

  1. College of Science and Technology, Nihon University, 274-8501, Chiba, Funabashi, Japan

    Sumiyoshi Abe

  2. Department of Theoretical Studies, Institute for Molecular Science, 444-8585, Aichi, Okazaki, Japan

    Yuko Okamoto

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© 2001 Springer-Verlag Berlin Heidelberg

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Okamoto, Y., Hansmann, U. (2001). VIII. Protein Folding Simulations by a Generalized-Ensemble Algorithm Based on Tsallis Statistics. In: Abe, S., Okamoto, Y. (eds) Nonextensive Statistical Mechanics and Its Applications. Lecture Notes in Physics, vol 560. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-40919-X_8

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  • DOI: https://doi.org/10.1007/3-540-40919-X_8

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  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-41208-3

  • Online ISBN: 978-3-540-40919-9

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