Temperature echoes in molecular dynamics simulations of proteins

O. M. Becker and M. Karplus
Phys. Rev. Lett. 70, 3514 – Published 31 May 1993
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Abstract

Temperature echoes, which were first found in simulations of a simple Lennard-Jones glass, are demonstrated to exist in molecular dynamics simulations of a globular protein. Sequences of cooling and heating pulses make possible a study of protein vibrational modes as a function of temperature. Double cooling pulse echoes are used for estimating the density of states. Implications of the results for the glasslike behavior of proteins are discussed.

  • Received 21 December 1992

DOI:https://doi.org/10.1103/PhysRevLett.70.3514

©1993 American Physical Society

Authors & Affiliations

O. M. Becker and M. Karplus

  • Department of Chemistry, Harvard University, Cambridge, Massachusetts 02138

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Vol. 70, Iss. 22 — 31 May 1993

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