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• Structural properties of hydration shell around various conformations of simple polypeptides

  Publication

  • D. Czapiewski
  • J. Zielkiewicz

  - JOURNAL OF PHYSICAL CHEMISTRY B - Year 2010

  In this paper we investigate structural properties of water within the solvation shell around the peptide core created by a well-defined conformation of polypeptide chain. The following secondary structures are investigated: linear (straight chain), and three helices PII (polyproline-like), 310, and α. We propose using the two-particle contribution to entropy as a rational measure of the water structural ordering within the solvation...

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