Molecular driving forces of the pocket-ligand hydrophobic association

Chemical Physics Letters

Volumn 533, Issue , 2012, Pages 95-99

  Graziano, Giuseppe ^a  

^a UNIVERSITY OF SANNIO   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

DRIVING FORCES; ENTHALPY-ENTROPY COMPENSATION; GIBBS ENERGY CHANGE; H-BONDS; HYDROPHOBIC ASSOCIATION; MOLECULAR DYNAMICS SIMULATIONS; REORGANISATION; TRANSLATIONAL ENTROPIES; WATER MOLECULE; WATER-WATER;

ENTHALPY; HYDROPHOBICITY; MOLECULAR DYNAMICS;

LIGANDS;

EID: 84859527661     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.03.020     Document Type: Article

References (50)

1. S. Leavitt, and E. Freire Curr. Opin. Struct. Biol. 11 2001 560
2. E. Freire Chem. Biol. Drug Des. 74 2009 468
3. J.E. Ladbury, G. Klebe, and E. Freire Nat. Rev. Drug Discov. 9 2010 23
4. Y. Kawasaki, and E. Freire Drug Discov. Today 16 2011 985
5. P.W. Snyder Proc. Natl. Acad. Sci. U S A 108 2011 17889
6. A. Ben-Naim Molecular Theory of Water and Aqueous Solutions. Part I: Understanding Water 2009 World Scientific Singapore
7. D.L. Mobley, and K.A. Dill Structure 17 2009 489
8. R. Abel, L. Wang, R.A. Friesner, and B.J. Berne J. Chem. Theory Comput. 6 2010 2924
9. L. Wang, B.J. Berne, and R.A. Friesner Proc. Natl. Acad. Sci. U S A 108 2011 1326
10. R. Baron, P. Setny, and J.A. McCammon J. Am. Chem. Soc. 132 2010 12091
11. P. Setny, R. Baron, and J.A. McCammon J. Chem. Theory Comput. 6 2010 2866
12. W.L. Jorgensen, J. Chandrasekhar, J.D. Madura, R.W. Impey, and M.L. Klein J. Chem. Phys. 79 1983 926
13. B. Lee, and F.M. Richards J. Mol. Biol. 55 1971 379
14. G. Graziano J. Phys. Chem. B 113 2009 11232
15. G. Graziano Chem. Phys. Lett. 483 2009 67
16. G. Graziano Chem. Phys. Lett. 499 2010 79
17. A. Ben-Naim Biopolymers 14 1975 1337
18. B. Lee Biophys. Chem. 51 1994 271
19. H. Qian, and J.J. Hopfield J. Chem. Phys. 105 1996 9292
20. A. Ben-Naim Solvation Thermodynamics 1987 Plenum Press New York
21. B. Lee Biopolymers 31 1991 993
22. G. Graziano Chem. Phys. Lett. 429 2006 114
23. G. Graziano Chem. Phys. Lett. 440 2007 221
24. G. Graziano J. Chem. Phys. 129 2008 084506
25. C.A. Koh, R.P. Wisbey, X. Wu, R.E. Westacott, and A.K. Soper J. Chem. Phys. 113 2000 6390
26. S.F. Dec, K.E. Bowler, L.L. Stadterman, C.A. Koh, and E.D. Sloan J. Am. Chem. Soc. 128 2006 414
27. N. Muller Acc. Chem. Res. 23 1990 23
28. P. Buchanan, N. Aldiwan, A.K. Soper, J.L. Creek, and C.A. Koh Chem. Phys. Lett. 415 2005 89
29. B. Lee, and G. Graziano J. Am. Chem. Soc. 118 1996 5163
30. G. Graziano, and B. Lee J. Phys. Chem. B 109 2005 8103
31. H.S. Frank, and M.W. Evans J. Chem. Phys. 13 1945 507
32. L. Pauling The Nature of the Chemical Bond third edn. 1960 Cornell University Press Ithaca, New York
33. K. Lum, D. Chandler, and J.D. Weeks J. Phys. Chem. B 103 1999 4570
34. D. Chandler Nature 437 2005 640
35. B. Lee J. Chem. Phys. 83 1985 2421
36. G. Graziano J. Phys. Chem. B 110 2006 11421
37. A. Wallqvist, and B.J. Berne J. Phys. Chem. 99 1995 2885
38. G. Graziano Chem. Phys. Lett. 497 2010 33
39. D.M. Huang, P.L. Geissler, and D. Chandler J. Phys. Chem. B 105 2001 6704
40. S. Rajamani, T.M. Truskett, and S. Garde Proc. Natl. Acad. Sci. U S A 102 2005 9475
41. H.J.C. Berendsen, J.R. Grigera, and T.P. Straatsma J. Phys. Chem. 91 1987 6269
42. C. Vega, and E. de Miguel J. Chem. Phys. 126 2007 154707
43. F. Chen, and P.E. Smith J. Chem. Phys. 126 2007 221101
44. R. Godawat, S.N. Jamadagni, and S. Garde J. Phys. Chem. B 114 2010 2246
45. D.R. Lide Handbook of Chemistry and Physics 77th edn. 1996 CRC Press Boca Raton, FL
46. H.S. Ashbaugh, and M.E. Paulaitis J. Am. Chem. Soc. 123 2001 10721
47. J. Dzubiella J. Stat. Phys. 145 2011 227
48. G. Graziano, and B. Lee J. Phys. Chem. B 105 2001 10367
49. B. Widom J. Phys. Chem. 86 1982 869
50. R.C. Tolman The Principles of Statistical Mechanics 1938 Oxford University Press London