Title

Side-chain and backbone ordering in a polypeptide

Document Type

Article

Publication Date

11-6-2006

Abstract

We report results from multicanonical simulations of polyglutamic acid chains of length of ten residues. For this simple polypeptide we observe a decoupling of backbone and side-chain ordering in the folding process. While the details of the two transitions vary between the peptide in gas phase and in an implicit solvent, our results indicate that, independent of the specific surroundings, upon continuously lowering the temperature side-chain ordering occurs only after the backbone topology is completely formed.© 2006 American Institute of Physics.

Publication Title

Journal of Chemical Physics

Share

COinS