How the all-atom simulation and the Ising-based theory reconcile with each other on the helix-coil transition

M. Takano, K. Nagayama, A. Suyama

研究成果: Article

3 被引用数 (Scopus)

抄録

In this report, we addressed a somewhat basic question about how the two extreme models, the all-atom model and the Ising-based model, can be consistent with each other regarding the polypeptide helix-coil transition. Comparisons of several physical properties were made between the results of the all-atom simulations and those of the Ising-based theories. From the equilibrium point of view, the two models were found to exhibit a qualitatively similar trend, which is significant considering the extreme difference in precision between the two models. On the other hand, from the kinetic viewpoint, there appeared a difference in relaxation behavior between the two models; i.e., so-called stretched exponential relaxation was observed in the all-atom simulation whereas the kinetic Ising model showed simple exponential relaxation. A plausible source of the observed difference is briefly discussed.

本文言語English
ページ(範囲)155-161
ページ数7
ジャーナルJournal of Biological Physics
28
2
DOI
出版ステータスPublished - 2002 9 23
外部発表はい

ASJC Scopus subject areas

  • Biophysics
  • Atomic and Molecular Physics, and Optics
  • Molecular Biology
  • Cell Biology

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