Conformational analysis of methyl 6-O-[(R)- and (S)-1-carboxyethyl]-α- D-galactopyranoside by MM and Langevin dynamics simulations

Glycoconjugate Journal

Volumn 14, Issue 8, 1997, Pages 973-981

  Stenutz, Roland ^a   Widmalm, Göran ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

Carboxyethyl; Langevin dynamics; Long range carbon proton coupling constants; Molecular mechanics; NMR spectroscopy; Number correlation function

Indexed keywords

GALACTOSE; METHYL 6 O (1 CARBOXYETHYL)ALPHA D GALACTOPYRANOSIDE; PYRANOSIDE; UNCLASSIFIED DRUG;

ARTICLE; CARBOHYDRATE ANALYSIS; CHEMICAL STRUCTURE; ENERGY TRANSFER; MOLECULAR DYNAMICS; MOLECULAR RECOGNITION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PRIORITY JOURNAL; SIMULATION;

CARBOHYDRATE CONFORMATION; CRYSTALLOGRAPHY, X-RAY; MAGNETIC RESONANCE SPECTROSCOPY; METHYLGALACTOSIDES; MODELS, MOLECULAR; POLYSACCHARIDES, BACTERIAL; STEREOISOMERISM; THERMODYNAMICS;

EID: 0031473593     PISSN: 02820080     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1018527129939     Document Type: Article

References (17)

1. Andersson M, Ratnayake S, Kenne L, Eriksson L. Stack RJ (1993) Carbohydrate Res 246: 291.
2. Andersson M, Kenne L, Stenutz R, Widmalm G (1994) Carbohydrate Res 254: 35.
3. Eriksson L, Pilotti Å, Stenutz R, Widmalm G (1996) Acta Cryst Sect C52: 2285.
4. Gasteiger J, Marsili M (1980) Tetrahedron 36: 3219.
5. Venable RM, Pastor RW (1988) Biopolymers 27: 1001
6. Nishida T, Widmalm G, Sandor P, (1996) Magn Reson Chem 34: 377.
7. Nishida T, Widmalm G, Sandor P (1995) Magn Reson Chem 33: 596.
8. McIntyre L, Freeman R (1992) J Magn Reson 96: 425.
9. del Rio-Portilla F, Blechta V, Freeman R (1994) J Magn Reson Ser A 111: 132.
10. Haasnoot CAG, de Leeuw FAAM, Altona C (1980) Tetrahedron 36: 2783.
11. Tvaroska I, Hricovíni M, Petráková E (1989) Carbohydrate Res 189: 359.
12. Widmalm G, Pastor RW (1992) J Chem Soc Faraday Trans 88: 1747.
13. Hardy BJ, Egan W, Widmalm G (1995) Int J Biol Macromol 17: 149.
14. Loncharich RJ, Brooks BR, Pastor RW (1992) Biopolymers 32: 523.
15. Pastor RW, Karplus M (1989) J Chem Phys 91: 211.
16. Zhou H-X (1989) Chem Phys Lett 164: 285.
17. Zwanzig R, Ailawadi A (1969) Phys Rev 182: 280.