Geometry-based simulation of the hydration of small molecules

PhysChemComm

Volumn 3, Issue , 2000, Pages

  Plumridge, Timothy H ^a   Steele, Gerald ^b   Waigh, Roger D ^a  

^a UNIVERSITY OF STRATHCLYDE   (United Kingdom)

^b ASTRAZENECA   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

GUANIDINE; PHOSPHATE; SULFATE; WATER;

AQUEOUS SOLUTION; ARTICLE; COMPUTER PROGRAM; COMPUTER SIMULATION; DATA ANALYSIS; DEGRADATION KINETICS; DESICCATION; EXPERIMENTAL TEST; FORCE; GEOMETRY; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; REACTION ANALYSIS; SOLUTE; STRUCTURE ANALYSIS; TECHNIQUE;

EID: 14644442153     PISSN: 14602733     EISSN: None     Source Type: Journal    
DOI: 10.1039/b003723k     Document Type: Article

References (27)

1. H. S. Frank and M. W. Evans, J. Chem. Phys., 1945, 13, 507.
2. W. Blokzijl and J. B. F. N. Engberts, Angew. Chem., Int. Ed. Engl., 1993, 32, 1545.
3. H. S. Frank and W. Y. Wen, Discuss. Faraday Soc., 1957, 24, 133.
4. W. Kauzmann, Adv. Protein Chem., 1959, 14, 1.
5. K. A. Dill, Biochemistry, 1990, 29, 7133.
6. M. A. Jiminez, C. Carreno, D. Andreu, F. J. Blanco, J. Herranz, M. Rico and J. L. Nieto, Biopolymers, 1994, 34, 647.
7. C. Tanford, The hydrophobic effect, formation of micelles and biological membranes, 2nd edn., Wiley, New York, 1980.
8. A. T. Florence and D. Attwood, in Physicochemical principles of pharmacy, 2nd edn., Macmillan, London, 1988, p. 173.
9. D. B. Wetlaufer, S. K. Malik, L. Stoller and R. L. Coffin, J. Am. Chem. Soc., 1964, 86, 508.
10. C. Tanford, J. Am. Chem. Soc., 1964, 86, 2050.
11. K. D. Collins, Biophys. J., 1997, 72, 65.
12. G. A. Jeffrey and W. Saenger, Hydrogen bonding in biological systems, Springer-Verlag, Berlin, 1991.
13. M. Gerstein and R. M. Lynden-Bell, J. Phys. Chem., 1993, 97, 2982.
14. L. A. Lipscomb, M. E. Peek, F. X. Zhou, J. A. Bertrand, D. VanDerveer and L. D. Williams, Biochemistry, 1994, 33, 3649.
15. B. Schneider, S. L. Ginell and H. M. Berman, Biophys. J., 1992, 63, 1572.
16. A. W. Castleman, J. Phys. Chem., 1991, 95, 8442.
17. D. T. Bowron, A. Filipponi, M. A. Roberts and J. L. Finney, Phys. Rev. Lett., 1998, 81(19), 4164.
18. J. K. Gregory and D. C. Clary, J. Phys. Chem., 1996, 100, 18014.
19. K. Liu, M. G. Brown, C. Carter, R. J. Saykally, J. K. Gregory and D. C. Clary, Nature, 1996, 381, 501.
20. F. H. Allen and O. Kennard, Perspect. Comput., 1983, 3, 28.
21. T. Steiner and W. Saenger, J. Am. Chem. Soc., 1992, 114, 10146.
22. B. Lesyng, G. A. Jeffrey and H. Maluszynska, Acta Crystallogr., Sect B, 1988, B44, 193.
23. A.K. Soper, F. Bruni and M.A. Ricci, J. Chem. Phys., 1997, 106, 247
24. G. M. Brown and R. Chidambaram, Acta Crystallogr., Sect B, 1969, B25, 676.
25. R. K. McMullan, T. H. Jordan and G. A. Jeffrey, J. Chem. Phys., 1967, 47, 1218.
26. M. Nakahara and Y. Yoshimoto, J. Phys. Chem., 1995, 99, 10698.
27. F. Corradini, L. Marcheselli, L. Tassi and G. Tosi, J. Chem. Soc., Faraday Trans., 1993, 89, 123.