Weighting of experimental evidence in macromolecular structure determination

Proceedings of the National Academy of Sciences of the United States of America

Volumn 103, Issue 6, 2006, Pages 1756-1761

  Habeck, Michael ^a,b,c   Rieping, Wolfgang ^a,d   Nilges, Michael ^a  

^a CNRS   (France)

^b MAX PLANCK INSTITUTE FOR DEVELOPMENTAL BIOLOGY   (Germany)

^c MAX PLANCK INSTITUTE FOR BIOLOGICAL CYBERNETICS   (Germany)

^d UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Bayesian probability theory; Markov chain Monte Carlo

Indexed keywords

ACCURACY; ARTICLE; BAYES THEOREM; BIOPHYSICS; CHEMICAL STRUCTURE; MACROMOLECULE; MATHEMATICAL ANALYSIS; MONTE CARLO METHOD; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; PROBABILITY; STRUCTURE ANALYSIS; VALIDATION PROCESS;

BIAS (EPIDEMIOLOGY); BIOPHYSICS; MACROMOLECULAR SUBSTANCES; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR STRUCTURE; MOLECULAR WEIGHT; REPRODUCIBILITY OF RESULTS;

EID: 32444439415     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.0506412103     Document Type: Article

References (27)

1. Jack, A. & Levitt, M. (1978) Acta Crystallogr. A 34, 931-935.
2. Brünger, A. T. & Nilges, M. (1993) Q. Rev. Biophys. 26, 49-125.
3. Kaptein, R., Zuiderweg, E. R., Scheek, R. M., Boelens, R. & van Gunsteren, W. F. (1985) J. Mol. Biol. 182, 179-182.
4. Clore, G. M. & Gronenborn, A. M. (1998) Proc. Natl. Acad. Sci. USA 95, 5891-5898.
5. Ŝali, A. & Blundell, T. (1993) J. Mol. Biol. 234, 779-815.
6. Brünger, A. T. (1992) Nature 355, 472-474.
7. Brünger, A. T., Clore, G. M., Gronenborn, A. M., Saffrich, R. & Nilges, M. (1993) Science 261, 328-331.
8. Adams, P. D., Pannu, N. S., Read, R. J. & Brünger, A. T. (1997) Proc. Natl. Acad. Sci. USA 94, 5018-5023.
9. Rieping, W., Habeck, M. & Nilges, M. (2005) Science 309, 303-306.
10. Habeck, M., Nilges, M. & Rieping, W. (2005) Phys. Rev. E Stat. Phys. Plasmas Fluids Relat. Interdiscip. Top. 72, 031912.
11. Jaynes, E. T. (2003) Probability Theory: The Logic of Science (Cambridge Univ. Press, Cambridge, U.K.).
12. Jaynes, E. T. (1957) Phys. Rev. 106, 620-630.
13. Jeffreys, H. (1946) Proc. R. Soc. London Ser. A 186, 453-461.
14. Berger, J. O., Liseo, B. & Wolpert, R. L. (1999) Stat. Sci. 14, 1-28.
15. Cornilescu, G., Marquardt, J. L., Ottiger, M. & Bax, A. (1998) J. Am. Chem. Soc. 120, 6836-6837.
16. Rieping, W., Habeck, M. & Nilges, M. (2005) J. Am. Chem. Soc. 127, 16026-16027.
17. Chen, M. H., Shao, Q. M. & Ibrahim, J. G. (2002) Monte Carlo Methods in Bayesian Computation (Springer, New York).
18. Hendrickson, W. A. (1985) Methods Enzymol. 115, 252-270.
19. Habeck, M., Nilges, M. & Rieping, W. (2005) Phys. Rev. Lett. 94, 018105.
20. Duane, S., Kennedy, A. D., Pendleton, B. & Roweth, D. (1987) Phys. Lett. B 195, 216-222.
21. Laskowski, R. A., MacArthur, M. W., Moss, D. S. & Thornton, J. M. (1993) J. Appl. Crystallogr. 26, 283-291.
22. Vriend, G. (1990) J. Mol. Graphics 8, 52-56.
23. Vijay-Kumar, S., Bugg, C. E. & Cook, W. J. (1987) J. Mol. Biol. 194, 531-544.
24. Geman, S. & Geman, D. (1984) IEEE Trans. PAMI 6, 721-741.
25. Nilges, M., Macias, M. J., O'Donoghue, S. I. & Oschkinat, H. (1997) J. Mol. Biol. 269, 408-422.
26. Brünger, A. T., Adams, P. D., Clore, G. M., DeLano, W. L., Gros, P., Grosse-Kunstleve, R. W., Jiang, J.-S., Kuszewski, J., Nilges, M., Pannu, N. S., et al. (1998) Acta Crystallogr. D 54, 905-921.
27. Gronwald, W., Kirchhöfer, R., Görler, A., Kremer, W., Ganslmeier, B., Neidig, K. P. & Kalbitzer, H. R. (2000) J. Biomol. NMR 17, 137-151.