Side chain and backbone ordering in a polypeptide

Details Side chain and backbone ordering in a polypeptide Side chain and backbone ordering in a polypeptide

2007-11-26

arxiv.org/abs/0711.4088v1

J. Chem. Phys. 125 (2006) 164902

Physics

Biological Physics

Scientific paper

10.1063/1.2364890

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.

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