Molecular dynamics simulations of maltose in water

Carbohydrate Research

Volumn 281, Issue 1, 1996, Pages 11-34

  Ott, Karl Heinz ^a,b   Meyer, Bernd ^a,c  

^a UNIVERSITY OF GEORGIA   (United States)

^b PFIZER INC   (United States)

^c UNIVERSITY OF HAMBURG   (Germany)

Author keywords

cluster analysis; conformation; dynamics; energy minima

Indexed keywords

MALTOSE;

ARTICLE; COMPUTER SIMULATION; DRUG STRUCTURE; MOLECULAR DYNAMICS; PRIORITY JOURNAL;

EID: 0030040540     PISSN: 00086215     EISSN: None     Source Type: Journal    
DOI: 10.1016/0008-6215(95)00320-7     Document Type: Article

References (30)

1. S. Melberg and K. Rasmussen, Carbohydr. Res., 76 (1979) 23-27.
2. S. Melberg and K. Rasmussen, Carbohydr. Res., 76 (1979) 27-38.
3. G.M. Lipkind, V.E. Verovsky, and N.K. Kochetkov, Carbohydr. Res., 133 (1984) 1-13.
4. S. Perez, F. Taravel, and C. Vergelati, Nouv. J. Chim., 4 (1985) 561-564.
5. A.S. Shashkov, G.M. Lipkind, and N.K. Kochetkov, Carbohydr. Res., 147 (1986) 175-182.
6. S.N. Ha, L.J. Madsen, and J.W. Brady, Biopolymers, 27 (1988) 1927-1952.
7. V. Tran, A. Buleon, A. Imberty, and S. Perez, Biopolymers, 28 (1989) 679-690.
8. E.S. Stevens and B.K. Sathyanarayana, J. Am. Chem. Soc., 111 (1989) 4149-4154.
9. A.D. French, Carbohydr. Res., 188 (1989) 206-211.
10. H. Lim, C.S. Setser, and J.V. Paukstelis, Cereal Chem., 69 (1992) 387-390.
11. E.S. Stevens, Biopolymers, 32 (1992) 1571-1579.
12. M.K. Dowd, J. Zeng, A.D. French, and P.J. Reilly, Carbohydr. Res., 230 (1992) 223-244.
13. J.W. Brady and R.K. Schmidt, J. Phys. Chem., 97 (1993) 958-966.
14. K.-H. Ott and B. Meyer, J. Comp. Chem., in press.
15. H.J.C. Berendsen, P.J.M. Postma, W.F. Van Gunsteren, A. di Nola, and J.R. Haak, J. Chem. Phys., 81 (1984) 3684-3690.
16. W.F. Van Gunsteren and H.J.C. Berendsen, Mol. Phys., 34 (1977) 1311-1327.
17. J.A. Hartigan, Clustering Algorithms, Wiley, New York, 1975.
18. B. Everitt, Cluster Analysis, Halsted, New York, 1980.
19. D.M. Abraham and F. Rizzardy, The Berkley Interactive Statistical System, Norton, New York, 1988.
20. S.S.C. Chou and G.A. Jeffrey, Acta Crystallogr., 23 (1967) 1038-1040.
21. F. Takusagawa and G.A. Jacobson, Acta Crystallogr., Sect. B, 34 (1978) 213-218.
22. M.E. Gress and G.A. Jeffrey, Acta Crystallogr., Sect. B, 33 (1977) 2490-2495.
23. I. Christiansen-Brams, M. Meldal, and K. Bock, J. Carbohydr. Chem., 11 (1992) 813-835.
24. D.A. Rees and D. Thom, J. Chem. Soc. Perkin Trans. II, (1977) 191-201.
25. E.S. Stevens and K. Bangalore, Biopolymers, 27 (1988) 415-421.
26. E.S. Stevens, B.K. Sathyanarayana, and E.R. Morris, J. Phys. Chem., 93 (1989) 3434-3436.
27. F.J. Bates, NBS Circular C440, USG, NBS, Washington, DC, 1942.
28. A. Parfondry and N. Cyr, Carbohydr. Res., 59 (1977) 299-309.
29. I. Tvaroska, Carbohydr. Res., 206 (1990) 55-64.
30. B. Mulloy, T.A. Frenkiel, and D.B. Davies, Carbohydr. Res., 184 (1988) 39-46.