Generalized-ensemble simulations of the human parathyroid hormone fragment PTH(1-34)
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.
Journal of Chemical Physics
Generalized-ensemble simulations of the human parathyroid hormone fragment PTH(1-34).
Journal of Chemical Physics,
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