title: Vibrational energy transfer in a protein molecule.
abstract: 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.
authors.affiliation: Department of Chemistry, Graduate School of Science, Kyoto University, Sakyo-ku, Kyoto 606-8502, Japan.
authors.forename: K
authors.initials: K
authors.lastname: Moritsugu
authors.forename: O
authors.initials: O
authors.lastname: Miyashita
authors.forename: A
authors.initials: A
authors.lastname: Kidera
mesh_terms: D003080:Cold Temperature; D003198:Computer Simulation; D004735:Energy Transfer; D008962:Models, Theoretical; D009038:Motion; D009211:Myoglobin / Q000031:analogs & derivatives* / Q000737:chemistry / Q000378:metabolism; D014732:Vibration
chemical_list: D009211:Myoglobin; C055547:deoxymyoglobin