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Structural and dynamic properties of water within the solvation layer around various conformations of the glycine-based polypeptide
Publication
- A. Kuffel
- J. Zielkiewicz
- JOURNAL OF PHYSICAL CHEMISTRY B - Year 2008
Several conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighbouring space around these molecules were investigated. It was found, that water forms a well-defined layer - the first solvation shell - around the peptide molecule, and thickness of this layer is independent of the peptide structure, and it equals to approximately 0.28 nm....