Distinguishing among structural ensembles of the GB1 peptide: REMD simulations and NMR experiments

Journal of the American Chemical Society

Volumn 129, Issue 16, 2007, Pages 4858-4859

  Weinstock, Daniel S ^a   Narayanan, Chitra ^a   Felts, Anthony K ^a   Andrec, Michael ^a   Levy, Ronald M ^a   Wu, Kuen Phon ^a   Baum, Jean ^a  

^a State University of New Jersey   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

GB1 PEPTIDE; PEPTIDE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PEPTIDE ANALYSIS; PROTEIN STRUCTURE; SIMULATION; STRUCTURE ANALYSIS;

GTP-BINDING PROTEINS; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PEPTIDES; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; SOLUTIONS;

EID: 34247469309     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0677517     Document Type: Article

References (24)

1. (a) Lindorff-Larsen, K.; Kristjansdottir, S.; Teilum, K.; Fieber, W.; Dobson, C. M.; Poulsen, F. M.; Vendruscolo, M. J. Am. Chem. Soc. 2004, 126, 3291.
2. (b) Choy, W.-Y.; Forman-Kay, J. D. J. Mol. Biol. 2001, 308, 1011.
3. (c) Torda, A. E.; Scheek, R. M.; van Gunsteren, W. F. Chem. Phys. Lett. 1989, 157, 289.
4. (d) Best, R. B.; Vendruscolo, M. J. Am. Chem. Soc. 2004, 126, 8090.
5. (e) Dedmon, M. M.; Lindorff-Larsen, K.; Christodoulou, J.; Vendruscolo, M.; Dobson, C. M. J. Am. Chem. Soc. 2005, 127, 476.
6. (a) Satoh, D.; Shimizu, K.; Nakamura, S.; Terada, T. FEBS Lett. 2006, 590, 3422.
7. (b) Zagrovic, B.; Sorin, E. J.; Pande, V. J. Mol. Biol. 2001, 313, 151.
8. (a) Felts, A. K.; Harano, Y.; Gallicchio, E.; Levy, R. M. Proteins 2004, 56, 310.
9. (b) Andrec, M.; Felts, A. K.; Gallichio, E.; Levy, R. M. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 6801.
10. Sugita, Y.; Okamoto, Y. Chem. Phys. Lett. 1999, 314, 141.
11. Gallicchio, E.; Levy, R.; Levy, M. J. Comput. Chem. 2004, 25, 479.
12. Banks, J. L.; et al. J. Comput. Chem. 2005, 26, 1752.
13. (a) Blanco, F. J.; Rivas, G.; Serrano, L. Struct. Biol. 1994, 1, 584.
14. (b) Munoz, V.; Thompson, P. A.; Hofrichter, J.; Eaton, W. A. Nature 1997, 390, 196.
15. (a) Dinner, A. R.; Lazaridis, T.; Karplus, M. Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 9068.
16. (b) Garcia, A. E.; Sonbonmatsu, K. Y. Proteins 2001, 42, 345.
17. (c) Fesinmeyer, R. M.; Hudson, F. M.; Andersen, N. H. J. Am. Chem. Soc. 2004, 126, 7238.
18. Neal, S.; Nip, A. M.; Zhang, H.; Wishart, D. S. J. Biomol. NMR 2003, 26, 215.
19. Lindeorff-Larsen, K.; Best, R. B.; Vendruscolo, M. J. Biomol. NMR 2005, 32, 273.
20. (a) Case, D. A. Curr. Opin. Struct. Biol. 2000, 10, 197.
21. (b) Baxter, N. J.; Williamson, M. P. J. Biomol. NMR 1997, 9, 359.
22. Gronenborn, A. M.; Fipula, D. R.; Essig, N. Z.; Archari, A.; Whitlow, M.; Wingfield, P. T.; Clore, G. M. Science 1991, 253, 657.
23. (a) Olejniczak, E. T.; Dobson, C. M.; Karplus, M.; Levy, R. M. J. Am. Chem. Soc. 1984, 106, 1923.
24. (b) Kessler, H.; Greisinger, C.; Lautz, J.; Muller, A.; van Gunsteren, W. F.; Berendsen, H. J. J. Am. Chem. Soc. 1988, 110, 3393.