Helix formation and folding in an artificial peptide

Alves, Nelson A.; Hansmann, Ulrich H. E.
August 2002
Journal of Chemical Physics;8/1/2002, Vol. 117 Issue 5, p2337
Academic Journal
We study the relation between α-helix formation and folding for a simple artificial peptide, Ala[sub 10]-Gly[sub 5]-Ala[sub 10]. 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 the first step two α-helices are formed which afterwards re-arrange themselves into a U-like structure.


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