Molecular shapes from small-angle X-ray scattering: Extension of the theory to higher scattering angles

Acta Crystallographica Section A: Foundations of Crystallography

Volumn 65, Issue 2, 2009, Pages 128-134

  Shneerson, V L ^a   Saldin, D K ^a  

^a UNIVERSITY OF WISCONSIN MILWAUKEE   (United States)

Author keywords

Hydration shell; Molecular shape; Simulated annealing; Small angle X ray scattering

Indexed keywords

PROTEIN; SOLVENT;

ALGORITHM; ARTICLE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; SMALL ANGLE SCATTERING; X RAY DIFFRACTION;

ALGORITHMS; COMPUTER SIMULATION; MOLECULAR CONFORMATION; PROTEINS; SCATTERING, SMALL ANGLE; SOLVENTS; X-RAY DIFFRACTION;

EID: 60749097811     PISSN: 01087673     EISSN: 16005724     Source Type: Journal    
DOI: 10.1107/S0108767309003237     Document Type: Article

References (18)

1. Abramovitz, M. & Stegun, I. A. (1974). Handbook of Mathematical Functions with Formulas, Graphs, and Mathematical Tables, p. 438. New York: Dover.
2. Chacón, P., Morán, F., Diaz, J. F., Pantos, E. & Andreu, J. M. (1998). Biophys. J. 74, 2760-2775.
3. Drenth, J. (1994). Principles of Protein X-Ray Crystallography. New York: Springer-Verlag.
4. Guinier, A. & Fournet, G. (1955). Small Angle Scattering of X-Rays. New York: Wiley and Sons.
5. Kirkpatrick, S., Gelatt, C. D. & Vecchi,M. P. (1983). Science, 220, 671-680.
6. MacLeod, A. J. (1996). Numer. Algorithms, 12, 259-272.
7. Morris, R. J., Blanc, E. & Bricogne, G. (2004). Acta Cryst. D60, 227-240.
8. Morris, R. J., Najmanovich, R. J., Kahraman, A. & Thornton, J. M. (2005). Bioinformatics, 21, 2347-2355.
9. Petoukhov, M. V. & Svergun, D. I. (2007). Curr. Opin. Struct. Biol. 17, 562-571.
10. Stuhrmann, H. B. (1970a). Z. Phys. 72, 177-184.
11. Stuhrmann, H. B. (1970b). Acta Cryst. A26, 297-306.
12. Svergun, D. I. (1994). Acta Cryst. A50, 391-402.
13. Svergun, D. I. (1997). J. Appl. Cryst. 30, 792-797.
14. Svergun, D. I. (1999). Biophys. J. 76, 2879-2886.
15. Svergun, D., Barberato, C. & Koch, M. H. J. (1995). J. Appl. Cryst. 28, 768-773.
16. Svergun, D. I. & Koch, M. H. (2002). Curr. Opin. Struct. Biol. 12, 654-660.
17. Svergun, D. I. & Stuhrmann, H. B. (1991). Acta Cryst. A47, 736-744.
18. Wüthrich, K. (1986). NMR of Proteins and Nucleic Acids. New York: Wiley.