On the application of structure-specific bulk - Solvent models

Acta Crystallographica Section D: Biological Crystallography

Volumn 67, Issue 8, 2011, Pages 739-741

  Glykos, Nicholas M ^a  

^a DEMOCRITUS UNIVERSITY OF THRACE   (Greece)

Author keywords

bulk solvent correction; crystallographic refinement; molecular dynamics simulations

Indexed keywords

SOLVENT; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; METHODOLOGY; PROTEIN SECONDARY STRUCTURE; PROTEIN TERTIARY STRUCTURE; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; MODELS, MOLECULAR; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; SOLVENTS; WATER;

EID: 79960952537     PISSN: 09074449     EISSN: 13990047     Source Type: Journal    
DOI: 10.1107/S090744491102258X     Document Type: Article

References (16)

1. Badger, J. (1997). Methods Enzymol. 277, 344-352.
2. Glykos, N. M. (2006). J. Comput. Chem. 27, 1765-1768.
3. Glykos, N. M. (2007). Acta Cryst. D63, 705-713.
4. Glykos, N. M. & Kokkinidis, M. (2000). Acta Cryst. D56, 1070-1072.
5. Glykos, N. M., Papanikolau, Y., Vlassi, M., Kotsifaki, D., Cesareni, G. & Kokkinidis, M. (2006). Biochemistry, 45, 10905-10919.
6. Humphrey, W., Dalke, A. & Schulten, K. (1996). J. Mol. Graph. 14, 33-38.
7. Jiang, J.-S. & Brünger, A. T. (1994). J. Mol. Biol. 243, 100-115.
8. Kale, L., Skeel, R., Bhandarkar, M., Brunner, R., Gursoy, A., Krawetz, N., Phillips, J., Shinozaki, A., Varadarajan, K. & Schulten, K. (1999). J. Comput. Phys. 151, 283-312.
9. Lounnas, V., Pettitt, B. M. & Phillips, G. N. (1994). Biophys. J. 66, 601-614.
10. MacKerell, A. D. et al. (1998). J. Phys. Chem. Ser. B, 102, 3586-3616.
11. Mackerell, A. D., Feig, M. & Brooks, C. L. (2004). J. Comput. Chem. 25, 1400-1415.
12. McRee, D. E. (1992). J. Mol. Graph. 10, 44-46.
13. Moews, P. C. & Kretsinger, R. H. (1975). J. Mol. Biol. 91, 201-225.
14. Murshudov, G. N., Skubák, P., Lebedev, A. A., Pannu, N. S., Steiner, R. A., Nicholls, R. A., Winn, M. D., Long, F. & Vagin, A. A. (2011). Acta Cryst. D67, 355-367.
15. Papanikolau, Y., Kotsifaki, D., Fadouloglou, V. E., Gazi, A. D., Glykos, N. M., Cesareni, G. & Kokkinidis, M. (2004). Acta Cryst. D60, 1334-1337.
16. Winn, M. D. et al. (2011). Acta Cryst. D67, 235-242.