Temperature quench echoes in proteins

Dong Xu, Klaus Schulten, Oren M. Becker, Martin Karplus

Research output: Contribution to journalArticlepeer-review


Temperature quench echoes are analyzed in terms of the temperature- temperature correlation function in the harmonic approximation, and the resulting expressions are compared with molecular dynamics simulations. The relationship between the time dependence of the echo depth and the density of states is demonstrated for harmonic systems. For a protein, which has significant anharmonicity, the time dependence is dominated by relaxation effects that originate from dephasing of the periodic motions. A simple relaxation model is shown to provide a good description of the results observed in the simulations.

Original languageEnglish (US)
Pages (from-to)3112-3123
Number of pages12
JournalThe Journal of Chemical Physics
Issue number8
StatePublished - 1995

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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