A theoretical study of the conformational behavior of analogues of α-L-rhamnose-1-phosphate

Carbohydrate Research

Volumn 339, Issue 7, 2004, Pages 1323-1330

  Compostella, Federica ^a   Albini, Franca Marinone ^b   Ronchetti, Fiamma ^a   Toma, Lucio ^b  

^a UNIVERSITY OF MILAN   (Italy)

^b UNIVERSITY OF PAVIA   (Italy)

Author keywords

Molecular flexibility; Rhamnose phosphate; Sugar analogues

Indexed keywords

CARRIER MOBILITY; OXYGEN; SOLVENTS; WATER;

AGLYCONE MOIETY; ANOMERIC EFFECTS; METHYLENE GROUP; PYRANOSE RING;

CARBOHYDRATES;

ALPHA LEVO RHAMNOSE 1 PHOSPHATE; CARBENE; PYRAN DERIVATIVE; RHAMNOSE; UNCLASSIFIED DRUG; WATER;

CONFERENCE PAPER; DENSITY FUNCTIONAL THEORY; ENERGY; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN STRUCTURE; THEORETICAL STUDY;

CARBOHYDRATE CONFORMATION; CARBOHYDRATE SEQUENCE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR SEQUENCE DATA; MOLECULAR STRUCTURE; SUGAR PHOSPHATES; TRISACCHARIDES;

EID: 2142695705     PISSN: 00086215     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carres.2004.02.023     Document Type: Conference Paper

References (19)

1. Panza L., Ronchetti F., Russo G., Toma L. J. Chem. Soc., Perkin Trans. 1. 1987;2745-2747
2. Sugawara T., Igarashi K. Carbohydr. Res. 172:1988;195-207
3. Paulsen H., Helpap B., Lorentzen J.P. Carbohydr. Res. 179:1988;173-197
4. Kaji E., Lichtenthaler F.W., Osa Y., Takahashi K., Zen S. Bull. Chem. Soc. Jpn. 68:1995;2401-2408
5. Nilsson M., Norberg T. J. Chem. Soc., Perkin Trans. 1. 1998;1699-1704
6. Bousquet E., Khitri M., Lay L., Nicotra F., Panza L., Russo G. Carbohydr. Res. 311:1998;171-181
7. Soliveri G., Bertolotti A., Panza L., Poletti L., Jones C., Lay L. J. Chem. Soc., Perkin Trans. 1. 2002;2174-2181
8. Florián J., Štrajbl M., Warshel A. J. Am. Chem. Soc. 120:1998;7959-7966
9. Tvaroska I., Andrè I., Carver J.P. J. Phys. Chem. B. 103:1999;2560-2569
10. Schwegler E., Galli G., Gygi F. Chem. Phys. Lett. 342:2001;434-440
11. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785-789
12. Becke A.D. J. Chem. Phys. 98:1993;5648-5652
13. Barone V., Cossi M. J. Phys. Chem. A. 102:1998;1995-2001
14. Cossi M., Rega N., Scalmani G., Barone G. J. Comput. Chem. 24:2003;669-681
15. Cipolla L., La Ferla B., Nicotra F., Panza L. Tetrahedron Lett. 31:1997;5567-5568
16. Ohno N., Yadomae T., Miyazaki T. Carbohydr. Res. 80:1980;297-304
17. Bishop C.T., Jennings H.J. Immunology of Polysaccharides. Aspinall G.O. The Polysaccharides. Vol. 1:1982;314 Academic Press, New York
18. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. GAUSSIAN98, Revision A.7, Gaussian, Pittsburgh, PA, 1998
19. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. GAUSSIAN03, Revision B.02, Gaussian, Pittsburgh, PA, 2003