Prediction of ion channel transport from Grote-Hynes and Kramers theories

Molecular Physics

Volumn 100, Issue 14, 2002, Pages 2351-2359

  Tolokh, Igor S ^a   White, George W N ^a   Goldman, Saul ^a   Gray, C G ^a  

^a UNIVERSITY OF GUELPH   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; DIFFUSION; IONS; MONTE CARLO METHODS; POTASSIUM; QUANTUM THEORY; X RAY DIFFRACTION ANALYSIS;

ION CHANNEL TRANSPORT;

MOLECULAR DYNAMICS;

EID: 0037143362     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970210124828     Document Type: Article

References (95)

1. Hille, B., 2001, Ionic Channels of Excitable Membranes, 3rd Edn (Sunderland, MA: Sinauer).
2. Ashcroft, F.M., 2000, Ion Channels and Disease (New York: Academic Press).
3. Early work focused on the weakly selective synthetic channel gramicidin and for a review see Roux, B., and Karplus, M., 1994, Ann. Rev. Biophys. biomolec. Struct., 23, 731 and references therein; a review of more recent work is Tieleman, D.P., Biggin, P.C., Smith, G.R., and Sansom, M.S.P., 2001, Quart. Rev. Biophys., 34, 473.
4. Early work focused on the weakly selective synthetic channel gramicidin and for a review see Roux, B., and Karplus, M., 1994, Ann. Rev. Biophys. biomolec. Struct., 23, 731 and references therein; a review of more recent work is Tieleman, D.P., Biggin, P.C., Smith, G.R., and Sansom, M.S.P., 2001, Quart. Rev. Biophys., 34, 473.
5. Allen, T.W., Bliznyuk, A., Rendell, A.P., Kuyacak, S., and Chung, S.-H., 2000, J. chem. Phys., 112, 8191.
6. Shrivastava, I., H., and Sansom, M.S.P., 2000, Biophys. J., 78, 557.
7. Berneche, S., and Roux, B., 2000, Biophys. J., 78, 2900.
8. Berneche, S., and Roux, B., 2001, Nature, 414, 73.
9. Guidoni, L., Torre, V., and Carloni, P., 2000, FEBS Lett., 477, 37.
10. Aqvist, J., and Luzhkov, V., 2000, Nature, 404, 881.
11. Doyle, D.A., Cabral, J.M., Pfuetzner, R.A., Kuo, A., Gulbis, J.M., Cohen, S.L., Chait, B.T., and MacKinnon, R., 1998, Science, 280, 69.
12. Hu, J., Goldman, S., Gray, C.G., and Guy, H.R., 2000, Molec. Phys., 98, 535.
13. White, G.W.N., Goldman, S., and Gray, C.G., 2000, Molec. Phys., 98, 1871.
14. Crozier, P.S., Rowley, R.L., Holladay, N.B., Henderson, D., and Busath, D.D., 2001, Phys. Rev. Lett., 86, 2467.
15. Eisenberg, B., 1998, Contemp. Phys., 39, 447 and references therein.
16. Jordan, P.C., 1993, Thermodynamics of Membrane Receptors and Channels, edited by M.B. Jackson (Boca Raton, FL: CRC Press) and references therein.
17. Weetman, P., Goldman, S., and Gray, C.G., 1997, J. phys. Chem., 101, 6073.
18. Boda, D., Busath, D.D., Henderson, D., and Sokolowski, S., 2000, J. Phys. Chem. B, 104, 8903.
19. Mashl, R.J., Tang, Y., Schnitzer, J., and Jakobsson, E., 2001, Biophys. J., 81, 2473.
20. Mackerell Jr., A.D., Bashford, D., Bellott, M., et al. 1998, J. phys. Chem. B, 102, 3586.
21. Laio, A., and Torre, V., 1999, Biophys. J., 76, 129.
22. Hänggi, P., Talkner, P., and Borkovec, M., 1990, Rev. mod. Phys., 62, 251.
23. Roux, B., and Karplus, M., 1991, J. phys. Chem., 95, 4856.
24. Truhlar, D.G., Garrett, B.C., and Klippenstein, S.J., 1996, J. phys. Chem., 100, 12771.
25. Eyring, H., 1935, J. chem. Phys., 3, 107.
26. Melissas, V.S., and Truhlar, D.G., 1993, J. chem. Phys., 99, 1013.
27. Topaler, M., and Makri, N., 1994, J. chem. Phys., 101, 7500.
28. Roux, B., 1995, Comput. Phys. Commun., 91, 275.
29. Berne, B.J., 1985, Multiple Time Scales, edited by J.U. Brackbill and B.I. Cohen (Orlando, FL: Academic Press) p. 419 and references therein.
30. Straub, J.E., Hsu, D.A., and Berne, B.J., 1985, J. phys. Chem., 89, 5188; Straub, J.E., and Berne, B.J., 1985, J. chem. Phys., 83, 1138.
31. Straub, J.E., Hsu, D.A., and Berne, B.J., 1985, J. phys. Chem., 89, 5188; Straub, J.E., and Berne, B.J., 1985, J. chem. Phys., 83, 1138.
32. Anderson, J.B., 1995, Adv. chem. Phys., 91, 381 and references therein.
33. Ruiz-Montero, M.J., Frenkel, D., and Brey, J., 1997, Molec. Phys., 90, 925.
34. Mori, H., 1965, Progr. theoret. Phys., 33, 423.
35. Kubo, R., 1966, Rep. Progr. Phys., 29, 255.
36. Kawasaki, K., 1973, J. Phys. A, 6, 1289.
37. Zwanzig, R., 1990, Accounts chem. Res., 23, 148.
38. Karplus, M., 2000, J. phys. Chem. B, 104, 11.
39. Chandrasekhar, S., 1943, Rev. mod. Phys., 15, 1.
40. Lee, M.H., 1983, J. math. Phys., 24, 2512; 2000, Phys. Rev. E, 62, 1769.
41. Lee, M.H., 1983, J. math. Phys., 24, 2512; 2000, Phys. Rev. E, 62, 1769.
42. Grabert, H., Hänggi, P., and Talkner, P., 1980, J. statist. Phys., 22, 537.
43. Zwanzig, R., 1973, J. statist. Phys., 9, 215.
44. Cotes, E., West, B.J., and Linderberg, K., 1985, J. chem. Phys., 82, 2705.
45. Adelman, S.A., 1980, J. chem. Phys., 73, 3145; Adv. chem. Phys., 44, 143.
46. Adelman, S.A., 1980, J. chem. Phys., 73, 3145; Adv. chem. Phys., 44, 143.
47. Van Der Zwan, G., and Hynes, J.T., 1983, J. chem. Phys., 78, 4174; 1984, J. chem. Phys., 90, 21.
48. Van Der Zwan, G., and Hynes, J.T., 1983, J. chem. Phys., 78, 4174; 1984, J. chem. Phys., 90, 21.
49. Kim, S., and Oppenheim, I., 1972, Physica, 57, 469.
50. Xiang, T., and Grant, D.M., 1991, J. chem. Phys., 94, 4463.
51. Tarjus, G., and Kivelson, D., 1991, Chem. Phys., 152, 153.
52. Tucker, S.C., Tuckerman, M.E., Berne, B.J., and Pollak, E., 1991, J. chem. Phys., 95, 5809.
53. Smith, D.E., and Harris, C.B., 1990, J. chem. Phys., 92, 1304.
54. Kramers, H.A., 1940, Physica, 7, 284.
55. Grote, R.F., and Hynes, J.T., 1980, J. chem. Phys., 73, 2715; Hänggi, P., and Mojtabai, F., 1982, Phys. Rev. A, 26, 1168.
56. Grote, R.F., and Hynes, J.T., 1980, J. chem. Phys., 73, 2715; Hänggi, P., and Mojtabai, F., 1982, Phys. Rev. A, 26, 1168.
57. Bergsma, J.P., Reimers, J.R., Wilson, K.R., and Hynes, J.T., 1986, J. chem. Phys., 85, 5625.
58. Benjamin, I., Lee, L.L., Li, Y.S., Liu, A., and Wilson, K.R., 1991, Chem. Phys., 152, 1.
59. Gertner, B.J., Bergsma, J.P., Wilson, K.R., Lee, S., and Hynes, J.T., 1987, J. chem. Phys., 86, 1377.
60. Keirstead, W.P., Wilson, K.R., and Hynes, J.T., 1991, J. chem. Phys., 95, 5256.
61. Gertner, B.J., Wilson, K.R., and Hynes, J.T., 1989, J. chem. Phys., 90, 3537.
62. Ciccotti, G., Ferrario, M., Hynes, J.T., and Kapral, R., 1990, J. chem. Phys., 93, 7137.
63. Rey, R., and Guàrdia, E., 1992, J. phys. Chem., 96, 4712.
64. Rey, R., Guàrdia, E., and Padró, J.A., 1992, J. chem. Phys., 97, 8276.
65. Kirkwood, J.G., 1946, J. chem. Phys., 14, 180; Rice, S.A., and Gray, P., 1965, The Statistical Mechanics of Simple Liquids (New Tork: Wiley) p. 262.
66. Kirkwood, J.G., 1946, J. chem. Phys., 14, 180; Rice, S.A., and Gray, P., 1965, The Statistical Mechanics of Simple Liquids (New Tork: Wiley) p. 262.
67. Straub, J.E., Borkovec, M., and Berne, B.J., 1987, J. phys. Chem., 91, 4995.
68. Koneshan, S., Lynden-Bell, R.M., and Rassaiah, J.C., 1998, J. Amer. chem. Soc., 120, 12041; Wilson, M.A., Pohorille, A., and Pratt, L.R., 1985, J. chem. Phys., 83, 5832.
69. Koneshan, S., Lynden-Bell, R.M., and Rassaiah, J.C., 1998, J. Amer. chem. Soc., 120, 12041; Wilson, M.A., Pohorille, A., and Pratt, L.R., 1985, J. chem. Phys., 83, 5832.
70. Brooks, B.R., Bruccoleri, R.E., Olafson, B.D., States, D.J., Swaminathan, S., and Karplus, M., 1983, J. comput. Chem., 4, 187.
71. Grote, R.F., Van Der Zwan, G., and Hynes, J.T., 1984, J. phys. Chem., 88, 4676.
72. Smoluchowski, M.V., 1915, Ann. Phys. Leipzig, 48, 1103.
73. Jakobsson, E., and Chiu, S.W., 1987, Biophys. J., 52, 33; Chung, S.-H., Allen, T.W., Hoyles, M., and Kuyucak, S., 1999, Biophys. J., 77, 2517; Schirmen, T., and Phale, P., 1999, J. molec. Biol., 294, 1159; Im W., Seefeld, S., and Roux, B., 2000, Biophys. J., 79, 788.
74. Jakobsson, E., and Chiu, S.W., 1987, Biophys. J., 52, 33; Chung, S.-H., Allen, T.W., Hoyles, M., and Kuyucak, S., 1999, Biophys. J., 77, 2517; Schirmen, T., and Phale, P., 1999, J. molec. Biol., 294, 1159; Im, W., Seefeld, S., and Roux, B., 2000, Biophys. J., 79, 788.
75. Jakobsson, E., and Chiu, S.W., 1987, Biophys. J., 52, 33; Chung, S.-H., Allen, T.W., Hoyles, M., and Kuyucak, S., 1999, Biophys. J., 77, 2517; Schirmen, T., and Phale, P., 1999, J. molec. Biol., 294, 1159; Im, W., Seefeld, S., and Roux, B., 2000, Biophys. J., 79, 788.
76. Jakobsson, E., and Chiu, S.W., 1987, Biophys. J., 52, 33; Chung, S.-H., Allen, T.W., Hoyles, M., and Kuyucak, S., 1999, Biophys. J., 77, 2517; Schirmen, T., and Phale, P., 1999, J. molec. Biol., 294, 1159; Im, W., Seefeld, S., and Roux, B., 2000, Biophys. J., 79, 788.
77. Neria, E., and Karplus, M., 1997, Chem. Phys. Lett., 267, 23.
78. Staib, A., Borgis, D., and Hynes, J.T., 1995, J. chem. Phys., 102, 2487.
79. Smith, B.B., Staib, A., and Hynes, J.T., 1993, Chem. Phys., 176, 521.
80. Rose, D.A., and Benjamin, I., 1994, J. chem. Phys., 100, 3545.
81. Wolynes, P.G., 1981, Phys. Rev. Lett., 47, 968.
82. Talkner, P., 1991, Ber. Bunsenges. phys. Chem., 95, 327; Drozdov, A.M., and Tucker, S.C., 2000, J. chem. Phys., 112, 5251.
83. Talkner, P., 1991, Ber. Bunsenges. phys. Chem., 95, 327; Drozdov, A.M., and Tucker, S.C., 2000, J. chem. Phys., 112, 5251.
84. Pecina, O., and Schmickler, W., 1998, J. electroanal. Chem., 450, 303.
85. Neria, E., and Karplus, M., 1996, J. chem. Phys., 105, 10812.
86. Rey, R., and Hynes, J.T., 1996, J. phys. Chem., 100, 5611.
87. Voth, G.A., 1992, J. chem. Phys., 97, 5908; Straus, J.B., Llorente, J.M.G., and Voth, G.A., 1993, J. chem. Phys., 98, 4082.
88. Voth, G.A., 1992, J. chem. Phys., 97, 5908; Straus, J.B., Llorente, J.M.G., and Voth, G.A., 1993, J. chem. Phys., 98, 4082.
89. Adelman, S.A., and Ravi, R., 2000, Adv. chem. Phys., 115, 181.
90. Frishman, A.M., and Pollak, E., 1993, J. chem. Phys., 98, 9532.
91. Mathis, J.R., and Hynes, J.T., 1994, J. phys. Chem., 98, 5445.
92. Elber, R., Chen, D.P., Rojewska, D., and Eisenberg, R., 1995, Biophys. J., 68, 906.
93. Geissler, P.L., Dellago, C., and Chandler, D., 1999, J. phys. Chem. B, 103, 3706.
94. Truhlar, D.G., and Garrett, B.C., 2000, J. phys. Chem. B, 104, 1069.
95. Imamura, A., Ohtani, H., and Aoki, Y., 1997, Progr. Cell. Res., 6, 253.