A reexamination of the hydrophobic effect: Exploring the role of the solvent model in computing the methane-methane potential of mean force

Journal of Chemical Physics

Volumn 106, Issue 22, 1997, Pages 9265-9269

  Young, William S ^a   Brooks III, Charles L ^b  

^a ACCELRYS INC   (United States)

^b SCRIPPS RESEARCH INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000785131     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474027     Document Type: Article

References (31)

1. P. L. Privalov and S. J. Gill, Adv. Protein Chem. 39, 191 (1988).
2. B. Honig and A.-S. Yang, Adv. Protein Chem. 46, 27 (1995).
3. K. A. Dill, Biochemistry 31, 7133 (1990).
4. L. R. Pratt and D. Chandler, J. Chem. Phys. 67, 3683 (1977).
5. D. van Belle and S. J. Wodak, J. Am. Chem. Soc. 115, 647 (1993).
6. L. X. Dang, J. Chem. Phys. 100, 9032 (1994).
7. W. L. Jorgensen, J. K. Buckner, S. Boudon, and J. Tirado-Rives, J. Chem. Phys. 89, 3742 (1988).
8. C. Pangali, M. Rao, and B. J. Berne, J. Chem. Phys. 71, 2982 (1979).
9. S. Ludemann, H. Schreiber, R. Abseher, and O. Steinhauser, J. Chem. Phys. 104, 286 (1996).
10. D. E. Smith and A. D. J. Haymet, J. Chem. Phys. 98, 6445 (1993).
11. D. E. Smith, L. Zhang, and A. D. J. Haymet, J. Am. Chem. Soc. 114, 5776 (1992).
12. D. J. Tobias and C. L. Brooks III, Biochemistry 30, 6059 (1991).
13. H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. 91, 6269 (1987).
14. D. van Belle, M. Froyen, G. Lippens, and S. J. Wodak, J. Mol. Phys. 77, 239 (1992).
15. W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983).
16. M. Sprik and M. L. Klein, J. Chem. Phys. 95, 7556 (1988).
17. G. M. Torrie and J. P. Valleau, J. Comput. Phys. 23, 187 (1977).
18. S. H. Northrup, M. R. Pear, C.-Y. Lee, J. A. McCammon, and M. Karplus, Proc. Natl. Acad. Sci. USA 79, 4035 (1982).
19. D. Chandler, Faraday Discuss. Chem. Soc. 66, 184 (1978).
20. E. M. Boczko and C. L. Brooks III, J. Phys. Chem. 97, 4509 (1993).
21. S. Kumar, D. Bouzida, R. Swendsen, P. A. Kollman, and J. M. Rosenberg, J. Comput. Chem. 13, 1011 (1992).
22. D. J. Tobias, S. F. Sneddon, and C. L. Brooks III, J. Mol. Biol. 216, 783 (1991).
23. M. P. Allen and D. J. Tildesley, Computer Simulations of Liquids (Clarendon, Oxford, England, 1987).
24. J. P. Ryckaert, G. Ciccotti, and H. J. C. Berendsen, J. Comput. Phys. 23, 327 (1977).
25. C. L. Brooks III, B. M. Pettitt, and M. Karplus, J. Chem. Phys. 83, 5897 (1985).
26. M. Sprik, M. L. Klein, and K. Watanabe, J. Chem. Phys. 94, 6483 (1990).
27. S. Nose, Mol. Phys. 52, 255 (1984).
28. W. L. Jorgensen, J. D. Madura, and C. J. Swenson, J. Am. Chem. Soc. 106, 6638 (1984).
29. 6.
30. W. S. Young and C. L. Brooks III, J. Comput. Chem. 16, 715 (1995).
31. A. Wallqvist, Chem. Phys. Lett. 165, 437 (1990).