Computer simulation of the decay of nonlinear subglobular oscillations in aqueous solutions of protein molecules

Yury M. Romanovsky; Andrey Yuri Chikishev; Stanislav V. Kroo; Alexei V. Netrebko

doi:10.1117/12.468317

23 May 2002 Computer simulation of the decay of nonlinear subglobular oscillations in aqueous solutions of protein molecules

Yury M. Romanovsky, Andrey Yuri Chikishev, Stanislav V. Kroo, Alexei V. Netrebko

Author Affiliations +

Proceedings Volume 4624, Optical Diagnostics and Sensing of Biological Fluids and Glucose and Cholesterol Monitoring II; (2002) https://doi.org/10.1117/12.468317
Event: International Symposium on Biomedical Optics, 2002, San Jose, CA, United States

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.

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Yury M. Romanovsky, Andrey Yuri Chikishev, Stanislav V. Kroo, and Alexei V. Netrebko "Computer simulation of the decay of nonlinear subglobular oscillations in aqueous solutions of protein molecules", Proc. SPIE 4624, Optical Diagnostics and Sensing of Biological Fluids and Glucose and Cholesterol Monitoring II, (23 May 2002); https://doi.org/10.1117/12.468317

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