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Proceedings Paper

Computer simulation of the decay of nonlinear subglobular oscillations in aqueous solutions of protein molecules
Author(s): Yury M. Romanovsky; Andrey Yuri Chikishev; Stanislav V. Kroo; Alexei V. Netrebko
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Paper Abstract

The efficiency of the molecular machines can be determined by the Q-factor of oscillations in the selected degrees of freedom. In particular, the quasi-harmonic oscillations of chymotrypsin decrease the threshold for the diffusion limitation of its functioning as molecular scissors. It was demonstrated by the methods of molecular dynamics that the Q-factor of the subglobular oscillations of proteins in water at the frequencies (omega) about 1012 Hz can reach 10, although the Raman bands in the corresponding spectral range were found only in crystal samples. Q quadratically increases with (omega) . The earlier hypothesis regarding the catalytic importance of the Fermi resonance for the oscillations of ligands and atomic groups in the enzyme- substrate complexes was not proved in experiments with simple models. The Fermi resonance can be observed if the Q- factor of the selected degree of freedom exceeds 100.

Paper Details

Date Published: 23 May 2002
PDF: 11 pages
Proc. SPIE 4624, Optical Diagnostics and Sensing of Biological Fluids and Glucose and Cholesterol Monitoring II, (23 May 2002); doi: 10.1117/12.468317
Show Author Affiliations
Yury M. Romanovsky, M.V. Lomonosov Moscow State Univ. (Russia)
Andrey Yuri Chikishev, M.V. Lomonosov Moscow State Univ. (Russia)
Stanislav V. Kroo, M.V. Lomonosov Moscow State Univ. (Russia)
Alexei V. Netrebko, M.V. Lomonosov Moscow State Univ. (Russia)


Published in SPIE Proceedings Vol. 4624:
Optical Diagnostics and Sensing of Biological Fluids and Glucose and Cholesterol Monitoring II
Alexander V. Priezzhev; Gerard L. Cote, Editor(s)

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