Peptide CαDα stretch frequencies in a hydrated conformation are perturbed mainly by Cα-D α⋯O hydrogen bonding

Journal of Physical Chemistry B

Volumn 112, Issue 48, 2008, Pages 15267-15268

  Mirkin, Noemi G ^a   Krimm, Samuel ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; CONFORMATIONS; HYDRATES; HYDROGEN; PEPTIDES; PROTEINS;

AQUEOUS ENVIRONMENTS; EXPLICIT WATERS; FREQUENCY SHIFTS; HYDROGEN BONDINGS; ISOLATED STRUCTURES; PEPTIDE GROUPS; POLYPROLINE;

HYDROGEN BONDS;

EID: 57949110889     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp808515t     Document Type: Article

References (20)

1. Mirkin, N. G.; Krimm, S. J. Phys. Chem. A 2004, 108, 10923-10924.
2. Mirkin, N. G.; Krimm, S. J. Phys. Chem. A 2007, 111, 5300-5303.
3. Mirkin, N. G.; Krimm, S. To be published.
4. Scheiner, S.; Kar, T.; Cu, Y. J. Biol. Chem. 2001, 276, 9832-9837.
5. Krimm, S. Nature 1966, 212, 1482-1483.
6. Krimm, S.; Kuroiwa, K.; Rebane, T. Conformation of Biopolymers; Academic Press: London, 1967; p 439.
7. Krimm, S.; Kuroiwa, K. Biopolymers 1968, 6, 401-407.
8. Dwivedi, A. M.; Krimm, S. Biopolymers 1982, 21, 2377-2397.
9. Barnes, A. J. J. Mol. Struct. 2004, 704, 3-9.
10. Derewenda, Z.; Lee, L.; Derewenda, U. J. Mol. Biol. 1995, 252, 248-262.
11. Senes, A.; Ubarretxena-Belandia, I.; Engelman, D. M. Proc. Natl. Acad. U.S.A. 2001, 98, 9056-9061.
12. Manikandan, K.; Ramakumar, S. Proteins 2004, 56, 768-781.
13. Hermansson, K. J. Phys. Chem. A 2002, 106, 4695-4702.
14. Qian, W.; Krimm, S. J. Phys. Chem. A 2002, 106, 6628-6636.
15. Qian, W.; Krimm, S. J. Phys.Chem. A 2002, 106, 11663-11671.
16. Qian, W.; Krimm, S. J. Phys. Chem. A 2005, 109, 5608-5618.
17. Qian, W.; Krimm, S. THEOCHEM 2006, 766, 93-104.
18. Feig, M. J. Chem. Theory Comput. 2008, 4, 1555-1564.
19. Klotz, I. M. Protein Sci. 1993, 2, 1992-1999.
20. Malardier-Jugroot, C.; Johnson, M. E.; Murarka, R. K.; Head-Gordon, T. Phys. Chem. Chem. Phys. 2008, 10, 4903-4908.