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Helix Formation and Folding in an Artificial Peptide
We study the relation between -helix formation and folding for a
simple artificial peptide, Ala-Gly-Ala. Our data rely on
multicanonical Monte Carlo simulations where the interactions among all atoms
are taken into account. The free-energy landscape of the peptide is evaluated
for various temperatures. Our data indicate that folding of this peptide is a
two-step process: in a first step two -helices are formed which
afterwards re-arrange themselves into a U-like structure.Comment: 15 pages, with 9 eps figure
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