Towards an understanding of the molecular basis of hydrophobicity

Journal of Computer-Aided Molecular Design

Volumn 10, Issue 4, 1996, Pages 321-326

  Mancera, Ricardo L ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Hydration; Molecular dynamics; Molecular recognition

Indexed keywords

FREE ENERGY; HYDROGEN BONDS; HYDROPHOBICITY; MOLECULAR DYNAMICS; MOLECULES;

BOND MODELS; BULK WATER; DYNAMICS SIMULATION; HYDRATION SHELL; HYDROPHOBIC HYDRATION; MODEL PREDICTION; MOLECULAR BASIS; NONPOLAR SOLUTES; SPC/E WATER; WATER MOLECULE;

HYDRATION;

METHANE; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; HYDROGEN BOND; PHYSICAL CHEMISTRY; TEMPERATURE; THERMODYNAMICS;

CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; HYDROGEN BONDING; METHANE; MODELS, CHEMICAL; TEMPERATURE; THERMODYNAMICS; WATER;

EID: 0030202853     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF00124501     Document Type: Article

References (32)

1. Tanford, C., The Hydrophobic Effect: Formation of Micelles and Biological Membranes, Wiley, New York, NY, 1973.
2. Franks, F. (Ed.) Water, a Comprehensive Treatise, Vol. 4, Plenum Press, New York, NY, 1975, Ch. 1.
3. Ben-Nairn, A., Hydrophobic Interactions, Plenum Press, New York, NY, 1980.
4. Muller, N., J. Solution Chem., 17 (1988) 661.
5. Muller, N., Ace. Chem. Res., 23 (1990) 23.
6. Costas, M., Kronberg, B. and Silveston, R.J., J. Chem. Soc., Faraday Trans., 90 (1994) 1513.
7. Kronberg, B., Costas, M. and Silveston, R.J., Dispers. Sci. Technol., 15 (1994) 333.
8. Nemethy, G. and Scheraga, H.A., J. Chem. Phys., 36 (1962) 3401.
9. Shinoda, K. and Fujihira, M., Bull. Chem. Soc. Jpn., 41 (1968) 2612.
10. Shinoda, K., J. Phys. Chem., 81 (1977) 1300.
11. Hvidt, A., Acta Chem. Scand. A, 37 (1983) 99.
12. Privalov, P.L. and Gill, S.J., Adv. Protein Chem., 39 (1988) 191.
13. Privalov, P.L. and Gill, S.J., Pure Appl. Chem., 61 (1989) 1097.
14. Gill, S.J., Dec, S.F., Olofsson, G. and Wadsö, I., J. Phys. Chem., 89 (1985) 3758.
15. Dec, S.F. and Gill, S.J., J. Solution Chem., 14 (1985) 417.
16. Dec, S.F. and Gill, S.J., J. Solution Chem., 14 (1985) 827.
17. Gill, S.J. and Wadso, I., Proc. Natl. Acad. Sci. USA, 73 (1976) 2955.
18. Mirejovsky, D. and Arnett, E.M., J. Am. Chem. Soc., 105 (1983) 1112.
19. Lazaridis, T. and Paulaitis, M.E., J. Phys. Chem., 96 (1992) 3847.
20. Geiger, A., Rahman, A. and Stillinger, F.H., J. Chem. Phys., 70 (1979) 263.
21. Mancera, R.L. and Buckingham, A.D., J. Phys. Chem., 99 (1995) 14632.
22. Bradl, S. and Lang, E.W., J. Phys. Chem., 97 (1993) 10463.
23. Bradl, S., Lang, E.W., Turner, J.Z. and Soper, A.K., J. Phys. Chem., 98 (1994) 8161.
24. Haselmeier, R., Holz, M., Marbach, W. and Weingartner, H., J. Phys. Chem., 99 (1995) 2243.
25. Mancera, R.L. and Buckingham, A.D., Chem. Phys. Lett., 234 (1995) 296.
26. Skipper, N.T., Chem. Phys. Lett., 207 (1993) 424.
27. Patterson, D. and Barbe, M., J. Phys. Chem., 80 (1976) 2435.
28. Mancera, R.L., J. Chem. Soc. Faraday Trans., (1996) in press.
29. Molecular dynamics, simulation code, Moldy, K. Refson, Department of Earth Sciences, Oxford University, Oxford, U.K., 1988, 1992, 1993.
30. Berendsen, H.J.C., Grigera, J.R. and Straatsma, T.P., J. Phys. Chem., 91 (1987) 6269.
31. Jorgensen, W.L., Madura, J.D. and Swenson, C.J., J. Am. Chem. Soc., 106 (1984) 6638.
32. Sciortino, F., Geiger, A. and Stanley, H.E., Nature, 354 (1991) 218.