Hydration and flexibility of α-, β-, γ- and δ-cyclodextrin: A molecular dynamics study

Chemical Physics

Volumn 333, Issue 2-3, 2007, Pages 128-134

  Raffaini, Giuseppina ^a   Ganazzoli, Fabio ^a  

^a Materiali e Ingegneria Chimica G Natta   (Italy)

Author keywords

Cyclodextrins; Hydration; Molecular dynamics; Molecular flexibility; Pair distribution function

Indexed keywords

EID: 33947262994     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2007.01.015     Document Type: Article

References (19)

1. Szejtli J. Chem. Rev. 98 (1998) 1743
2. Saenger W., Jacob J., Gessler K., Steiner T., Hoffmann D., Sanbe H., Koizumi K., Smith S.M., and Takaha T. Chem. Rev. 98 (1998) 1787
3. Lipkowitz K.B. Chem. Rev. 98 (1998) 1829
4. Saenger W., and Steiner T. Acta Cryst. A 54 (1998) 798
5. Manor P.C., and Saenger W. J. Am. Chem. Soc. 96 (1974) 3630
6. Betzel C., Saenger W., Hingerty B.E., and Brown G.M. J. Am. Chem. Soc. 106 (1984) 7545
7. Ding J., Steiner T., Zabel V., Hingerty B.E., Mason S.A., and Saenger W. J. Am. Chem. Soc. 113 (1991) 8081
8. Fujiwara T., Tanaka N., and Kobayashi S. Chem. Lett. (1990) 739
9. Koehler J.E.H., Saenger W., and van Gunsteren W.F. Eur. Biophys. J. 15 (1987) 197
10. Koehler J.E.H., Saenger W., and van Gunsteren W.F. J. Mol. Biol. 203 (1988) 241
11. Georg H.C., Coutinho K., and Canuto S. Chem. Phys. Lett. 413 (2005) 16
12. Winkler R.G., Fioravanti S., Ciccotti G., Margheritis C., and Villa M. J. Comput.-Aided Mol. Des. 14 (2000) 659
13. Raffaini G., Elli S., and Ganazzoli F. J. Biomed. Mat. Res. A 77 (2006) 618
14. Dauber-Osguthorpe P., Roberts V.A., Osguthorpe D.J., Wolff J., Genest M., and Hagler A.T. Proteins: Struct. Funct. Genet. 4 (1988) 31
15. Bush C.A., Martin-Pastor M., and Imberty A. Annu. Rev. Biophys. Biomol. Struct. 28 (1999) 269
16. von der Lieth C.-W., and Kozar T. J. Mol. Struct. (Theochem) 368 (1996) 213
17. Asensio J.L., Martin-Pastor M., and Jimenez-Barbero J. Int. J. Biol. Macromol. 17 (1995) 137
18. Liu L., and Guo Q.-X. J. Incl. Phenom. Macrocycl. Chem. 42 (2002) 1
19. Ivanov P.M., and Jaime C. J. Phys. Chem. B 108 (2004) 6261