Vibrational energy transfer in a protein molecule

Mode coupling in a protein molecule was studied by a molecular dynamics sim ulation of the intramolecular vibrational energy transfer in myoglobin at n ear zero temperature. It was found that the vibrational energy is transferr ed 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 F ermi resonance, governed by the third order mode coupling term. It was also confirmed that the coupling coefficients had high correlation with how muc h the coupled modes geometrically overlapped with each other.