Vibrational energy relaxation in proteins

Details Vibrational energy relaxation in proteins Vibrational energy relaxation in proteins

2004-12-30

arxiv.org/abs/q-bio/0412048v3

Biology

Quantitative Biology

Biomolecules

12 pages, 4 figures, accepted for publication in PNAS

Scientific paper

An overview of theories related to vibrational energy relaxation (VER) in proteins is presented. VER of a selected mode in cytochrome c is studied using two theoretical approaches. One is the equilibrium simulation approach with quantum correction factors, and the other is the reduced model approach which describes the protein as an ensemble of normal modes interacting through nonlinear coupling elements. Both methods result in estimates of the VER time (sub ps) for a CD stretching mode in the protein at room temperature. The theoretical predictions are in accord with the experimental data of Romesberg's group. A perspective on future directions for the detailed study of time scales and mechanisms for VER in proteins is presented.

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