The experimental charge-density approach in the evaluation of intermolecular interactions. Application of a new module of the XD programming package to several solids including a pentapeptide

Acta Crystallographica Section A: Foundations of Crystallography

Volumn 56, Issue 6, 2000, Pages 585-591

  Abramov, Yu A ^a   Volkov, A ^a   Wu, G ^a   Coppens, P ^a  

^a UNIVERSITY AT BUFFALO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

4 NITROANILINE; ALANINE; ANILINE DERIVATIVE; ASPARAGINE; CARBONYL DERIVATIVE; OLIGOPEPTIDE; PHENYLALANINE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; COMPUTER PROGRAM; CONFORMATION; CRYSTAL; DENSITY; ELECTRICITY; ENERGY; NITROANILINE; PREDICTION; PROTEIN CONFORMATION; PROTEIN INTERACTION; PROTEIN STRUCTURE; X RAY CRYSTALLOGRAPHY;

ANILINE COMPOUNDS; ASPARAGINE; CRYSTALLOGRAPHY, X-RAY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OLIGOPEPTIDES; PROTEIN CONFORMATION; SOFTWARE;

IVA;

EID: 0034493147     PISSN: 01087673     EISSN: None     Source Type: Journal    
DOI: 10.1107/S0108767300011405     Document Type: Article

References (14)

1. Abramov, Yu. A., Volkov, A. V. & Coppens, P. (1999). Chem. Phys. Lett. 311, 81-86.
2. Abramov, Yu. A., Volkov, A. V. & Coppens, P. (2000). J. Mol. Struct. (Theochem.). In the press.
3. Abramov, Yu. A., Volkov, A. V., Wu, G., Coppens, P. (2000). J. Phys. Chem. B, 104, 2183-2188.
4. Arnold, W. D., Sanders, L. K., McMahon, M. T., Volkov, A. V., Wu, G., Coppens, P., Wilson, S., Godbout, N. & Oldfield, E. (2000). J. Am. Chem. Soc. 122, 4708-4717.
5. Stern, H. A., Kaminski, G. A., Banks, J. L., Zhou, R., Berne, B. J. & Friesner, R. A. (1999). J. Phys. Chem. B, 103, 4730-4737.
6. Stone, A. J. (1996). The Theory of Intermolecular Forces. International Series of Monographs on Chemistry, Vol. 32. New York: Oxford University Press.
7. Stone, A. J. & Tsuzuki, S. (1997). J. Phys. Chem. B, 101, 10178-10183.
8. Suponitsky, K. Yu., Tsirelson, V. G. & Feil, D. (1999). Acta Cryst. A55, 821-827.
9. Volkov, A., Gatti, C., Abramov, Yu. A. & Coppens, P. (2000). Acta Cryst. A56, 252-258.
10. Vries, R. Y. de, Feil, D. & Tsirelson, V. G. (2000). Acta Cryst. B56, 118-123.
11. Wiest, R., Pichon-Pesme, V., Benard, M. & Lecomte, C. (1994). J. Phys. Chem. 98, 1351-1362.
12. Williams, D. E. & Cox, S. R. (1984). Acta Cryst. B40, 404-417.
13. Wu, G., Abramov, Yu. A., Volkov, A. & Coppens, P. (2001). In preparation.
14. Wu, G. & Coppens, P. (1999). Unpublished results.