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Proceedings Paper

Non-Gaussian statistics of the vibrational fluctuations of myoglobin and the thermal fluctuations of myoglobin hydration
Author(s): Jack A. Tuszynski; Tyler Luchko; Eric J. Carpenter; J. M. Dixon; M. Peyrard; Yves Engelborghs
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Paper Abstract

Experiments on the dynamics of vibrational fluctuations in myoglobin revealed an interesting behavioral cross-over occurring in the range of 180-200 K. In this temperature range the mean square displacement of atomic positions versus temperature sharply increases its slope indicating the dissociation of CO from the haeme group. In this paper we develop a theoretical framework for the description of this phenomenon assuming the existence of an effective quartic potential. We then use non-Gaussian statistics to obtain a relationship between the mean square displacement and model parameters. We compare our model to published experimental data using a physically meaningful parameter fit. While the Gaussian approximation's applicability is verified by the low-temperature régime, in the high-temperature limit deviations from the Gaussian approximation are due to the double-well nature of our effective potential. In the second part of the paper we summarize our molecular dynamics simulations of the myoglobin's hydration in the low-temperature régime and at room temperature.

Paper Details

Date Published: 25 May 2004
PDF: 16 pages
Proc. SPIE 5467, Fluctuations and Noise in Biological, Biophysical, and Biomedical Systems II, (25 May 2004); doi: 10.1117/12.548420
Show Author Affiliations
Jack A. Tuszynski, Univ. of Alberta (Canada)
Tyler Luchko, Univ. of Alberta (Canada)
Eric J. Carpenter, Univ. of Alberta (Canada)
J. M. Dixon, Univ. of Warwick (United Kingdom)
M. Peyrard, Ecole Normale Suprieure de Lyon (France)
Yves Engelborghs, Univ. of Leuven (Belgium)

Published in SPIE Proceedings Vol. 5467:
Fluctuations and Noise in Biological, Biophysical, and Biomedical Systems II
Derek Abbott; Sergey M. Bezrukov; Andras Der; Angel Sanchez, Editor(s)

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