Conformational analysis and dynamics of mannobiosides and mannotriosides using Monte Carlo/stochastic dynamics simulations

Carbohydrate Research

Volumn 339, Issue 5, 2004, Pages 967-973

  Bernardi, Anna ^a   Colombo, Andrea ^a   Sánchez Medina, Inmaculada ^a  

^a UNIVERSITY OF MILAN   (Italy)

Author keywords

Conformational analysis; Mannose oligosaccharides; Molecular dynamics

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; MONTE CARLO METHODS; OLIGOMERS; RANDOM PROCESSES;

WATER SOLVATION MODELS;

POLYSACCHARIDES;

ALPHA 1,2 MANNOBIOSIDE; ALPHA 1,6 MANNOBIOSIDE; ALPHA MANNOSYL 1,2 ALPHA METHYLOXIDE; MANNOSIDE; TRISACCHARIDE; UNCLASSIFIED DRUG; WATER;

ANALYTIC METHOD; CARBOHYDRATE ANALYSIS; CONFERENCE PAPER; CONFORMATION; MOLECULAR DYNAMICS; MONTE CARLO METHOD; PRIORITY JOURNAL; SIMULATION; SOLVATION; STOCHASTIC MODEL; STRUCTURE ANALYSIS;

CARBOHYDRATE CONFORMATION; COMPUTER SIMULATION; MANNANS; MODELS, MOLECULAR; MONTE CARLO METHOD; THERMODYNAMICS; TRISACCHARIDES;

EID: 1542298920     PISSN: 00086215     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carres.2003.11.013     Document Type: Conference Paper

References (17)

1. Wormald M.R., Petrescu A.J., Pao Y.-L., Glithero A., Elliot T., Dwek R.A. Chem. Rev. 102:2002;371-386. and references cited therein.
2. Brocca P., Bernardi A., Raimondi L., Sonnino S. Glycoconj. J. 17:2000;283-299.
3. Guarnieri F., Still W.C. J. Comput. Chem. 15:1994;1302-1310.
4. Bernardi A., Raimondi L., Zanferrari D. J. Mol. Struct. (THEOCHEM). 395-396:1997;361-373.
5. Still W.C., Tempzyk A., Hawley R., Hendrickson T. J. Am. Chem. Soc. 112:1990;6127-6129.
6. Woods R.J., Pathiaseril A., Wormald M.R., Edge C.J., Dwek R.A. Eur. J. Biochem. 258:1998;372-386.
7. Spronk B.A., Rivera-Sagredo A., Kamerling J.P., Vliegenthart J.F.G. Carbohydr. Res. 273:1995;11-26.
8. Sayers E.W., Prestegard J.H. Biophys. J. 79:2000;3313-3329. and references cited therein.
9. Tian F., Al-Hashimi H.M., Craighead J.L., Prestegard J.H. J. Am. Chem. Soc. 123:2001;485-492.
10. Wooten E.W., Bazzo R., Edge C.J., Zamze S., Dwek R.A., Rademacher T.W. Eur. Biophys. J. 18:1990;139-148.
11. Brisson J.-R., Carver J.P. Biochemistry. 22:1983;1362-1368.
12. Imberty A., Pérez S., Hricovini M., Shah R.N., Carver J.P. Int. J. Biol. Macromol. 15:1993;17-23.
13. Sears P., Wong C.H. Angew. Chem., Int. Ed. 38:1999;2300-2324. and references cited therein.
14. Bernardi A., Potenza D., Capelli A.M., García-Herrero A., Cañada F.J., Jiménez-Barbero J. Chem. - Eur. J. 2002;4597-4612.
15. Kirschner K.N., Woods R.J. Proc. Natl. Acad. Sci. U.S.A. 98:2001;10541-10545.
16. Mohamadi F., Richards N.G.J., Guida W.C., Liskamp R., Lipton M., Caufield C., Chang G., Hendrickson T., Still W.C. J. Comput. Chem. 11:1990;440-467.
17. Senderowitz H., Still W.C. J. Org. Chem. 62:1997;1427-1438.