Generation of native-like protein structures from limited NMR data, modern force fields and advanced conformational sampling

Journal of Biomolecular NMR

Volumn 31, Issue 1, 2005, Pages 59-64

  Chen, Jianhan ^a   Won, Hyung Sik ^a   Im, Wonpil ^a   Dyson, H Jane ^a   Brooks III, Charles L ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

Author keywords

Generalized born; Implicit solvent; NOE assignment; Replica exchange; Structure determination; Structure refinement

Indexed keywords

CHAPERONE; ESCHERICHIA COLI PROTEIN; ZINC;

ARTICLE; AUTOMATION; CARBOXY TERMINAL SEQUENCE; ESCHERICHIA COLI; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR MODEL; NONHUMAN; NUCLEAR MAGNETIC RESONANCE; NUCLEAR OVERHAUSER EFFECT; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN CONFORMATION; PROTEIN DETERMINATION; PROTEIN DOMAIN; PROTEIN FOLDING;

ESCHERICHIA COLI; ESCHERICHIA COLI PROTEINS; HEAT-SHOCK PROTEINS; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR CHAPERONES; PROTEIN CONFORMATION; PROTEINS;

EID: 20444374120     PISSN: 09252738     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10858-004-6056-z     Document Type: Article

References (29)

1. D. Bashfold and D.A. Case 2000 Annu. Rev. Phys. Chem. 51 129-152 10.1146/ annurev.physchem.51.1.129
2. P.M. Bowers et al. 2000 J. Biomol. NMR 18 311-318 10.1023/A:1026744431105
3. B.R. Brooks et al. 1983 J. Comput. Chem. 4 187-217 10.1002/jcc.540040211
4. A.T. Brunger et al. 1998 Acta Cryst. D54 905-921
5. Chen, J., et al. (2004) J. Am. Chem. Soc.. in press.
6. G. Cornilescu et al. 1999 J. Biomol. NMR 13 289-302 10.1023/ A:1008392405740
7. B.M. Duggan et al. 2001 J. Biomol. NMR 19 321-329 10.1023/A:1011227824104
8. M. Feig and C.L. Brooks III 2004 Curr. Opin. Struct. Biol. 14 217-224 10.1016/j.sbi.2004.03.009
9. Feig, M. et al. (2001).
10. Feig, M. et al. (2004) J. Comp. Graph. Modl., in press.
11. P.C.F. Graf et al. 2004 J. Biol. Chem. 19 20529-20538 10.1074/ jbc.M401764200
12. P. Güntert et al. 1997 J. Mol. Biol. 273 283-298 10.1006/ jmbi.1997.1284
13. U.H.E. Hansmann and Y. Okamoto 1999 Curr. Opin. Struct. Biol. 9 177-183 10.1016/S0959-440X(99)80025-6
14. T. Herrmann et al. 2002 J. Mol. Biol. 319 209-227 10.1016/ S0022-2836(02)00241-3
15. W. Im et al. 2003 J. Comput. Chem. 24 1691-1702 10.1002/jcc.10321
16. U. Jakob et al. 1999 Cell 96 341-352 10.1016/S0092-8674(00)80547-4 1:CAS:528:DyaK1MXht1eqs74%3D 10025400
17. J. Kuszewski et al. 2004 J. Am. Chem. Soc. 126 6258-6273 10.1021/ ja049786h
18. M.S. Lee et al. 1989 Science 245 635-637
19. M.S. Lee et al. 2002 J. Chem. Phys. 116 10606-10614 10.1063/1.1480013
20. W. Li et al. 2003 Proteins 53 290-306 10.1002/prot.10499
21. A.D. MacKerell Jr. et al. 1998 J. Phys. Chem. B 102 3586-3616 10.1021/ jp973084f
22. A. Mitsutake et al. 2001 Biopolymers 60 96-123 10.1002/ 1097-0282(2001)60:2<96::AID-BIP1007>3.0.CO;2-F
23. M. Nilges et al. 1997 J. Mol. Biol. 269 408-422 10.1006/jmbi.1997.1044
24. B. Roux and T. Simonson 1999 Biophys. Chem. 78 1-20 10.1016/ S0301-4622(98)00226-9
25. J. Skolnick et al. 1997 J. Mol. Biol. 265 217-241 10.1006/jmbi.1996.0720
26. W.C. Still et al. 1990 J. Am. Chem. Soc. 112 6127-6129
27. Y. Sugita and Y. Okamoto 1999 Chem. Phys. Lett. 314 141-151 10.1016/ S0009-2614(99)01123-9
28. H.-S. Won et al. 2004 J. Mol. Biol. 341 893-899 10.1016/j.jmb.2004.06.046
29. K. Wüthrich 1986 NMR of Proteins and Nucleic Acids Wiley New York