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Biophysical Journal 61: 316-333 (1992)
© 1992 the Biophysical Society

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Simulation of coherent energy transfer in an alpha-helical peptide by Fermi resonance.

D L Clarke and M A Collins

Research 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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Copyright © 1992 by the Biophysical Society.