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Phys. Rev. Lett. 85, 3970–3973 (2000)

Vibrational Energy Transfer in a Protein Molecule

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Kei Moritsugu, Osamu Miyashita, and Akinori Kidera
Department of Chemistry, Graduate School of Science, Kyoto University, Sakyo-ku, Kyoto 606-8502, Japan

Received 6 April 2000; published in the issue dated 30 October 2000

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.

© 2000 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.85.3970
DOI:
10.1103/PhysRevLett.85.3970
PACS:
87.15.He, 87.14.Ee, 87.15.Aa