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Phys Rev Lett. 2000 Oct 30;85(18):3970-3.

Vibrational energy transfer in a protein molecule.

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  • 1Department of Chemistry, Graduate School of Science, Kyoto University, Sakyo-ku, Kyoto 606-8502, Japan.


Mode coupling in a protein molecule was studied by a molecular dynamics simulation of the intramolecular vibrational energy transfer in myoglobin at near zero temperature. It was found that the vibrational energy is transferred from a given normal mode to a very few number of selective normal modes. These modes are selected by the relation between their frequencies, like Fermi resonance, governed by the third order mode coupling term. It was also confirmed that the coupling coefficients had high correlation with how much the coupled modes geometrically overlapped with each other.

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