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Discriminating the Helical Forms of Peptides by NMR and Molecular Dynamics Simulation

✍ Scribed by Freedberg, Darón I.; Venable, Richard M.; Rossi, Angelo; Bull, Thomas E.; Pastor, Richard W.

Book ID
120251403
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
110 KB
Volume
126
Category
Article
ISSN
0002-7863

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We present a statistical mechanical description of biomolecular hydration that accurately describes the hydrophobic and hydrophilic hydration of a model a-helical peptide. The local density of water molecules around a biomolecule is obtained by means of a potential-of-mean-force (PMF) expansion in t