Effects of the phi[NHCO] retromodification on dehydroalanine dipeptide.

  • Carlos Alemán
  • Published 1996 in Journal of biomolecular structure & dynamics


The potential energy surface of the phi [NHCO] delta Ala dipeptide has been computed using ab initio quantum mechanical calculations at different theoretical levels. Three degenerate minima were found and characterized. The most favoured conformation is stabilized by an intramolecular hydrogen bonding interaction. The other two minima correspond to helical… (More)


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