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Phys. Rev. Lett. 80, 5691–5694 (1998)

Helix-Coil Transition and 1/f Fluctuation in a Polypeptide

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Mitsunori Takano, Takuya Takahashi, and Kuniaki Nagayama
Department of Life Sciences, Graduate School of Arts and Sciences, University of Tokyo, 3-8-1 Komaba, Meguro-ku, Tokyo 153-8902, Japan

Received 14 July 1997; published in the issue dated 22 June 1998

We report on molecular dynamics simulations of the helix-coil transition of a polypeptide. The simulated transition was two-state-like and similar to the solid-liquid-like transition that has been observed in computer simulations of an atomic cluster. At the transition temperature, the polypeptide chain fluctuated between a helical and a random-coil state, and we observed 1/f fluctuation through potential-energy fluctuations. The origin of the observed 1/f fluctuation is discussed, considering the underlying potential-energy landscape.

© 1998 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.80.5691
DOI:
10.1103/PhysRevLett.80.5691
PACS:
87.15.He, 05.40.+j, 64.70.Dv