Hydration water dynamics near biological interfaces

Journal of Physical Chemistry B

Volumn 113, Issue 13, 2009, Pages 4082-4092

  Johnson, Margaret E ^a,b,c,d,e   Cecile, Malardier Jugroot ^a,b,c,d   Murarka, Rajesh K ^a,b,c,d   Teresa, Head Gordon ^a,b,c,d,e  

^a University of California at Berkeley   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^c ROYAL MILITARY COLLEGE OF CANADA   (Canada)

^d Department of Obstetrics Gynecology   (United States)

^e UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; BIOCHEMISTRY; BIOPHYSICS; DYNAMICS; HYDROPHILICITY; MOLECULAR DYNAMICS; PROTEINS; SURFACE ANALYSIS; SURFACE CHEMISTRY; WATER ANALYSIS;

AMPHIPHILIC; ARRHENIUS; BIOLOGICAL INTERFACES; CHEMICAL HETEROGENEITIES; CLASSICAL MOLECULAR DYNAMICS; FIXED CHARGES; FOLDED PROTEINS; FORCE FIELDS; HYDRATION DYNAMICS; HYDRATION LAYERS; HYDRATION WATERS; PEPTIDE SOLUTIONS; PEPTIDE SYSTEMS; PROTEIN SURFACES; WATER DYNAMICS;

HYDRATION;

EID: 65249149750     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp806183v     Document Type: Article

References (63)

1. Janin, J. Structure 1999, 7, R277.
2. Malardier-Jugroot, C.; Johnson, M. E.; Murarka, R. K.; Head- Gordon, T. Phys. Chem. Chem. Phys. 2008, 10, 4903.
3. Murarka, R. K.; Head-Gordon, T. J. Phys. Chem. B 2008, 112, 179.
4. Malardier-Jugroot, C.; Head-Gordon, T. Phys. Chem. Chem. Phys. 2007, 9, 1962.
5. Murarka, R. K.; Head-Gordon, T. J. Chem. Phys. 2007, 126, 215101.
6. Russo, D.; Murarka, R. K.; Copley, J. R.; Head-Gordon, T. J. Phys. Chem. B 2005, 109, 12966.
7. Russo, D.; Murarka, R. K.; Hura, G.; Verschell, E. R.; Copley, J. R. J. Phys. Chem. B 2005, 108, 19885.
8. Russo, D.; Hura, G.; Head-Gordon, T. Biophys. J. 2004, 86, 1852.
9. Bhattacharyya, K. Chem. Commun. 2008, 25, 2848.
10. Helms, V. Chem. Phys. Phys. Chem. 2007, 8, 23.
11. Ebbinghaus, S.; Kim, S. J.; Heyden, M.; Yu, X.; Heugen, U.; Gruebele, M.; Leitner, D. M.; Havenith, M. Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 20749.
12. Li, T.; Hassanali, A. A.; Kao, Y. T.; Zhong, D.; Singer, S. J. J. Am. Chem. Soc. 2007, 129, 3376.
13. Chen, S. H.; Liu, L.; Fratini, E.; Baglioni, P.; Faraone, A.; Mamontov, E. Proc. Natl. Acad. Sci. U.S.A. 2006, 103, 9012.
14. Doster, W.; Settles, M. Biochim Biophys Acta 2005, 1749, 173.
15. Bagchi, B. Chem. Rev. 2005, 105, 3197.
16. Modig, K.; Liepinsh, E.; Otting, G.; Halle, B. J. Am. Chem. Soc. 2004, 126, 102.
17. Halle, B. Philos. Trans. R. Soc. London, Ser. B 2004, 359, 1207.
18. Pal, S. K.; Peon, J.; Bagchi, B.; Zewail, A. H. J. Phys. Chem. B 2002, 106, 12376.
19. Dellerue, S.; Petrescu, A. J.; Smith, J. C.; Bellissent-Funel, M. C. Biophys. J. 2001, 81, 1666.
20. Dellerue, S.; Bellissent-Funel, M. C. Chem. Phys. 2000, 258, 315.
21. Bellissent-Funel, M. C. J. Mol. Liq. 2000, 84, 39.
22. Nandi, N.; Bagchi, B. J. Phys. Chem. 1998, 102, 8217.
23. Diehl, M.; Doster, W.; Petry, W.; Schober, H. Biophys. J. 1997, 73, 2726.
24. Bellissentfunel, M. C.; Zanotti, J. M.; Chen, S. H. Faraday Discuss. 1996, 281.
25. Pethig, R. Annu. Rev. Phys. Chem. 1992, 43, 177.
26. Bellissentfunel, M. C.; Teixeira, J.; Bradley, K. F.; Chen, S. H. J. Phys. I 1992, 2, 995.
27. Grant, E. H.; Mitton, B. G.; South, G. P.; Sheppard, R. J. Biochem. J. 1974, 139, 375.
28. Pizzitutti, F.; Marchi, M.; Sterpone, F.; Rossky, P. J. J Phys Chem B 2007, 111, 7584.
29. Bandyopadhyay, S.; Chakraborty, S.; Balasubramanian, S.; Bagchi, B. J. Am. Chem. Soc. 2005, 127, 4071.
30. Pal, S.; Balasubramanian, S.; Bagchi, B. J. Chem. Phys. 2004, 120, 1912.
31. Bandyopadhyay, S.; Chakraborty, S.; Balasubramanian, S.; Pal, S.; Bagchi, B. J. Phys. Chem. B 2004, 108, 12608.
32. Orecchini, A.; Paciaroni, A.; Bizzarri, A. R.; Cannistraro, S. J. Phys. Chem. B 2001, 105, 12150.
33. Bizzarri, A. R.; Cannistraro, S. J. Phys. Chem. B 2002, 106, 6617.
34. Tarek, M.; Tobias, D. J. Biophys. J. 2000, 79, 3244.
35. Merzel, F.; Smith, J. C. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 5378.
36. Golosov, A. A.; Karplus, M. J. Phys. Chem. B 2007, 111, 1482.
37. Qvist, J.; Halle, B. J. Am. Chem. Soc. 2008, 130, 10345.
38. Duan, Y.; Wu, C.; Chowdhury, S.; Lee, M. C.; Xiong, G.; Zhang, W.; Yang, R.; Cieplak, P.; Luo, R.; Lee, T.; Caldwell, J.; Wang, J.; Kollman, P. J. Comput. Chem. 2003, 24, 1999.
39. Horn, H. W.; Swope, W. C.; Pitera, J. W.; Madura, J. D.; Dick, T. J.; Hura, G. L.; Head-Gordon, T. J. Chem. Phys. 2004, 120, 9665.
40. Hura, G.; Sorenson, J. M.; Glaeser, R. M.; Head-Gordon, T. Perspect. Drug Discovery Des. 1999, 17, 97.
41. Sorenson, J. M.; Hura, G.; Soper, A. K.; Pertsemlidis, A.; Head- Gordon, T. J. Phys. Chem. B 1999, 103, 5413.
42. Pertsemlidis, A.; Soper, A. K.; Sorenson, J. M.; Head-Gordon, T. Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 481.
43. Ponder, J. W.; Case, D. A. Adv. Protein Chem. 2003, 66, 27.
44. Ren, P.; Ponder, J. J. Phys. Chem. B 2003, 107, 5933.
45. Ren, P.; Ponder, J. W. J. Comput. Chem. 2002, 23, 1497.
46. Bellissent-Funel, M. C. J. Mol. Liq. 2002, 96 -7, 287.
47. Wanderlingh, U.; Giordano, R.; Teixeira, J. J. Mol. Struct. 1993, 296, 271.
48. Anderson, H. C. J. Comp. Phys. 1983, 52, 24.
49. Hoover, W. G. Phys. Rev. A 1985, 31, 1695.
50. Nose, S. J. Chem. Phys. 1984, 81, 511.
51. Andersen, H. C. J. Chem. Phys. 1980, 72, 2384.
52. Martyna, G. J.; Klein, M. L.; Tuckerman, M. J. Chem. Phys. 1992, 97, 2635.
53. Zanotti, J. M.; Bellissent-Funel, M. C.; Chen, S. H. Phys. Rev. E 1999, 59, 3084.
54. Sears, V. F. Can. J. Phys. 1967, 45, 237.
55. Chen, S. H.; Gallo, P.; Sciortino, F.; Tartaglia, P. Phys. Rev. E 1997, 56, 4231.
56. Sciortino, F.; Gallo, P.; Tartaglia, P.; Chen, S. H. Phys. Rev. E 1996, 54, 6331.
57. Kammerer, S.; Kob, W.; Schilling, R. Phys. Rev. E 1997, 56, 5450.
58. Oleinikova, A.; Sasisanker, P.; Weingartner, H. J. Phys. Chem. B 2004, 108, 8467.
59. Boresch, S.; Willensdorfer, M.; Steinhauser, O. J. Chem. Phys. 2004, 120, 3333.
60. Boresch, S.; Hochtl, P.; Steinhauser, O. J. Phys. Chem. B 2000, 104, 8743.
61. Nandi, N.; Bhattacharyya, K.; Bagchi, B. Chem. Rev. 2000, 100, 2013.
62. Berendsen, H. J.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem. 1987, 91, 6269.
63. Horn, H. W.; Swope, W. C.; Pitera, J. W. J. Chem. Phys. 2005, 123.