Title

Generalized-ensemble simulations of the human parathyroid hormone fragment PTH(1-34)

Document Type

Article

Publication Date

1-1-2004

Abstract

A generalized-ensemble technique, multicanonical sampling was applied to study the folding of a 34-residue human parathyroid hormone fragment. An implicit solvent was used to approximate the protein-solvent interactions. It was found that the generalized-ensemble simulations are well suited to sample low-energy structures of large polypeptides. The limitations of the presented implicit solvent model was also discussed.

Publication Title

Journal of Chemical Physics

Share

COinS