Extracting microscopic energies from oil-phase solvation experiments

Journal of Physical Chemistry B

Volumn 104, Issue 31, 2000, Pages 7471-7482

  Brem, Rachel ^a   Chan, Hue Sun ^a,b   Dill, Ken A ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF TORONTO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; DISSOLUTION; ENTHALPY; ENTROPY; FREE ENERGY; HYDROPHOBICITY; MATHEMATICAL MODELS; MONTE CARLO METHODS; OILS AND FATS; WATER;

CONTACT ENERGY; OIL-PHASE SOLVATION;

PHYSICAL CHEMISTRY;

EID: 0034247831     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0003297     Document Type: Article

References (39)

1. DeVido, D. R.; Dorsey, J. G.; Chan, H. S.; Dill, K. A. J. Chem. Phys. B 1998, 102, 7272-7279.
2. Flory, P. J. Principles of Polymer Chemistry; Cornell University Press: Ithaca, New York, 1953.
3. Hildebrand, J. H. J. Chem. Phys. 1947, 15, 225-28.
4. Krukowski, A. E.; Chan, H. S.; Dill, K. A. J. Chem. Phys. 1995, 103, 10675-10688.
5. Chan, H. S.; Dill, K. A. J. Chem. Phys. 1994, 101, 7007-7026.
6. Ben-Nairn, A. Solvation Thermodynamics; Plenum Press: New York, 1987.
7. Sharp, K. A.; Nicholls, A.; Friedman, R.; Honig, B. Biochemistry 1991, 30, 9686-9697.
8. Kumar, S. K.; Szleifer, I.; Sharp, K.; Rossky, P. J.; Friedman, R.; Honig, B. J. Phys. Chem. 1995, 99, 8382-8391.
9. Sharp, K. A.; Kumar, S.; Rossky, P. J.; Friedman, R. A.; Honig, B. J. Phys. Chem. 1996, 100, 14166-14177.
10. Widom, B. J. Chem. Phys. 1963, 39, 2808-2812.
11. Silverstein, K. A. T.; Haymet, A. D. J.; Dill, K. A. J. Am. Chem. Soc. 1998, 120, 3166-3175.
12. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Oxford University Press: New York, 1996.
13. Bader, R. F. W.; Carroll, M. T.; Cheeseman, J. R.; Chang, C. J. Am. Chem. Soc. 1987, 109, 7968-7979.
14. Chan, H. S.; Dill, K. A. Annu. Rev. Biophys. Biomol. Struct. 1997, 26, 425-59.
15. Lide, D. R., Ed. CRC Handbook of Chemistry and Physics; CRC Press: Boca Raton, FL, 2000.
16. Abraham, M. H.; Chadha, H. S.; Whiting, G. S.; Mitchell, R. C. J. Pharm. Sci. 1994, 83, 1085-1100.
17. Tanford, C. The Hydrophobic Effect; Wiley, New York, 1980.
18. Ben-Naim, A. J. Phys. Chem. 1979, 83, 1803.
19. Tanford, C. J. Phys. Chem. 1979, 83, 1802-3.
20. Hermann, R. B. J. Phys. Chem. 1972, 76, 2754-2759.
21. Shimizu, S.; Ikeguchi, M.; Nakamura, S.; Shimizu, K. J. Chem. Phys. 1999, 110, 2971-2982.
22. Sharp, K. A.; Nicholls, A.; Fine, R. F.; Honig, B. Science 1991, 252, 106-109.
23. De Young, L. R.; Dill, K. A. J. Phys. Chem. 1990, 94, 801-809.
24. Makhatadze, G. I.; Privalov, P. L. Adv. Protein Chem. 1995, 47, 307-425.
25. Geiger, A.; Rahman, A.; Stillinger, F. H. J. Chem. Phys. 1979, 70, 263-76.
26. Mancera, R. L.; Buckingham, A. D. J. Phys. Chem. 1995, 99, 14632-14640.
27. Ben-Naim, A.; Lovett, R. J. Phys. Chem. B 1997, 101, 10535-10541.
28. Dill, K. A. J. Biol. Chem. 1997, 272, 701-4.
29. Martin, M. G.; Zhuravlev, N. D.; Chen, B.; Carr, P. W.; Siepmann, J. I. J. Phys. Chem. B 1999, 103, 2977-2980.
30. Makhatadze, G. I.; Privalov, P. L. J. Mol. Biol. 1993, 232, 639-659.
31. Matubayasi, N.; Reed, L. H.; Levy, R. M. J. Phys. Chem. 1994, 98, 10640-10649.
32. Matubayasi, N.; Gallicchio, E.; Levy, R. M. J. Chem. Phys. 1998, 109, 4864-4872.
33. Rashin, A. A.; Bukatin, M. A. J. Phys. Chem. 1994, 98, 386-389.
34. Yu, H.-A.; Roux, B.; Karplus, M. J. Chem. Phys. 1990, 92, 5020-33.
35. Lazaridis, T.; Paulaitis, M. E. J. Phys. Chem. 1993, 97, 5789-5790.
36. Hermann, R. B. J. Comput. Chem. 1993, 14, 741-750.
37. Sitkoff, D.; Sharp, K. A.; Honig, B. Biophys. Chem. 1994, 51, 397-409.
38. Simonson, T.; Brunger, A. T. J. Phys. Chem. 1994, 98, 4683-4694.
39. Amidon, G. L.; Yalkowsky, S. H.; Leung, S. J. Pharm. Sci. 1974, 63, 1858-1866.