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Simulation of coherent energy transfer in an alpha-helical peptide by Fermi resonance
1Research School of Chemistry, Australian National University, Canberra, A.C.T.
Abstract:
A mechanism by which NH stretching quanta are coherently transported along a chain of hydrogen bonded peptide groups is demonstrated by classical simulation of a section of the alpha-helical peptide poly(L-alanine). Vibrational motion takes place on a complex energy surface constructed from earlier ab initio and empirical surfaces. A speculative hypothesis of the biological role of this mechanism is presented, and the critical parameters governing the dynamics are identified and discussed.
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