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Helix Formation and Folding in an Artificial Peptide

Nelson A. Alves·Ulrich H. E. Hansmann
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Abstract

We study the relation between $α$-helix formation and folding for a simple artificial peptide, Ala$_{10}$-Gly$_5$-Ala$_{10}$. 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 a first step two $α$-helices are formed which afterwards re-arrange themselves into a U-like structure.

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Nelson A. Alves, Ulrich H. E. Hansmann. 2002-05-27. Helix Formation and Folding in an Artificial Peptide. https://doi.org/10.1063/1.1489419

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