Spin-forbidden CO ligand recombination in myoglobin

Faraday Discussions

Volumn 127, Issue , 2004, Pages 165-177

  Harvey, Jeremy N ^a  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE; MYOGLOBIN;

CALCULATION; CHEMICAL REACTION; CONFERENCE PAPER; DENSITY FUNCTIONAL THEORY; GAS DIFFUSION; INORGANIC CHEMISTRY; LIGAND BINDING; MATHEMATICAL ANALYSIS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; PHASE TRANSITION; PROTEIN ANALYSIS; QUALITATIVE ANALYSIS; REACTION ANALYSIS; REACTION TIME; ROOM TEMPERATURE;

CARBON MONOXIDE; HEME; MODELS, MOLECULAR; MYOGLOBIN; PROTEIN CONFORMATION; THERMODYNAMICS;

EID: 5644248354     PISSN: 13596640     EISSN: None     Source Type: Journal    
DOI: 10.1039/b314768a     Document Type: Conference Paper

References (76)

1. M. Bixon and J. Jortner, in Electron Transfer - from Isolated Molecules to Biomolecules, Wiley, New York, 1999.
2. A. V. Barzykin, P. A. Frantsuzov, K. Seki, and M. Tachiya, in Solvent effects in Nonadiabatic Electron-transfer Reactions: Theoretical Aspects, Wiley, New York, 2002.
3. S. Hayashi, E. Tajkhorshid and K. Schulten, Biophys. J., 2003, 85, 1440.
4. A. Cembran, F. Bernardi, M. Olivucci and M. Garavelli, J. Am. Chem. Soc., 2003, 125, 12 509.
5. K. M. Smith, R. Poli and J. N. Harvey, New J. Chem., 2000, 24, 77.
6. J. N. Harvey, in Spin-forbidden Reactions in Transition-Metal Chemistry, ed. T. R. Cundari, Marcel Dekker, New York, Basel, 2001.
7. K. M. Smith, R. Poli and J. N. Harvey, Chem. - Eur. J., 2001, 7, 1679.
8. J. C. Green, J. N. Harvey and R. Poli, J. Chem. Soc. Dalton Trans., 2002, 1861.
9. R. Poli and J. N. Harvey, Chem. Soc. Rev., 2003, 32, 1.
10. J. N. Harvey, R. Poli and K. M. Smith, Coord. Chem. Rev., 2003, 238, 347.
11. J. N. Harvey and M. Aschi, Faraday Discuss., 2003, 124, 129.
12. J. N. Harvey, M. Aschi, H. Schwarz and W. Koch, Theor. Chem. Acc., 1998, 99, 95.
13. J. N. Harvey and M. Aschi, Phys. Chem. Chem. Phys., 1999, 1, 5555.
14. S. Shaik, S. P. de Visser, F. Ogliaro, H. Schwarz and D. Schroder, Curr. Opin. Chem. Biol., 2002, 6, 556.
15. R. Prabhakar, P. E. M. Siegbahn, B. F. Minaev and H. Agren, J. Phys. Chem. B, 2002, 106, 3742.
16. H. Frauenfelder, B. H. McMahon and P. W. Fenimore, Proc. Natl. Acad. Sci. USA, 2003, 100, 8615.
17. R. H. Austin, K. W. Beeson, L. Eisenstein, H. Frauenfelder and I. C. Gunsalus, Biochemistry, 1975, 14, 5355.
18. P. J. Steinbach, A. Ansari, J. Berendzen, D. Braunstein, K. Chu, B. R. Cowen, D. Ehrenstein, H. Frauenfelder, J. B. Johnson, D. C. Lamb, S. Luck, J. R. Mourant, G. U. Nienhaus, P. Ormos, R. Philipp, A. H. Xie and R. D. Young, Biochemistry, 1991, 30, 3988.
19. V. Šrajer, T. Y. Teng, T. Ursby, C. Pradervand, Z. Ren, S. Adachi, W. Schildkamp, D. Bourgeois, M. Wulff and K. Moffat, Science, 1996, 274, 1726.
20. V. Šrajer, Z. Ren, T. Y. Teng, M. Schmidt, T. Ursby, D. Bourgeois, C. Pradervand, W. Schildkamp, M. Wulff and K. Moffat, Biochemistry, 2001, 40, 13 802.
21. D. Bourgeois, B. Vallone, F. Schotte, A. Arcovito, A. E. Miele, G. Sciara, M. Wulff, P. Anfinrud and M. Brunori, Proc. Natl. Acad. Sci. USA, 2003, 100, 8704.
22. B. D. Olafson and W.A. Goddard, Proc. Natl. Acad. Sci. USA, 1977, 74, 1315.
23. D. A. Case, B. H. Huynh and M. Karplus, J. Am. Chem. Soc., 1979, 101, 4433.
24. A. Dedieu, M. M. Rohmer, H. Veillard and A. Veillard, Nouv. J. Chim., 1979, 3, 653.
25. M. Zerner, M. Gouterman and H. Kobayashi, Theor. Chim. Acta, 1966, 6, 363.
26. A. Waleh and G. H. Loew, J. Am. Chem. Soc., 1982, 104, 2346.
27. A. Waleh and G. H. Loew, J. Am. Chem. Soc., 1982, 104, 2352.
28. P. M. Kozlowski, T. G. Spiro, A. Berces and M. Z. Zgierski, J. Phys. Chem. B, 1998, 102, 2603.
29. Y. K. Choe, T. Nakajima, K. Hirao and R. Lindh, J. Chem. Phys., 1999, 111, 3837.
30. A. Ghosh, B. J. Persson and P. R. Taylor, J. Biol. Inorg. Chem., 2003, 8, 507.
31. K. Pierloot, Mol. Phys., 2003, 101, 2083.
32. T. G. Spiro, M. Z. Zgierski and P. M. Kozlowski, Coord. Chem. Rev., 2001, 219, 923.
33. T. G. Spiro and P. M. Kozlowski, Acc. Chem. Res., 2001, 34, 137.
34. A. Dreuw, B. D. Dunietz and M. Head-Gordon, J. Am. Chem. Soc., 2002, 124, 12 070.
35. B. D. Dunietz, A. Dreuw and M. Head-Gordon, J. Phys. Chem. B, 2003, 107, 5623.
36. C. Rovira, K. Kunc, J. Hutter, P. Ballone and M. Parrinello, J. Phys. Chem. A, 1997, 101, 8914.
37. E. Sigfridsson and U. Ryde, J. Biol. Inorg. Chem., 1999, 4, 99.
38. C. Rovira, J. Mol. Struct. (THEOCHEM), 2003, 632, 309.
39. C. Rovira, B. Schulze, M. Eichinger, J. D. Evanseck and M. Parrinello, Biophys. J., 2001, 81, 435.
40. E. Sigfridsson and U. Ryde, J. Inorg. Biochem., 2002, 91, 101.
41. U. Ryde and K. Nilsson, J. Mol. Struct. (THEOCHEM), 2003, 632, 259.
42. Q. Cui and M. Karplus, J. Phys. Chem. B, 2000, 104, 3721.
43. Q. Cui and M. Karplus, J. Chem. Phys., 2000, 112, 1133.
44. B. H. McMahon, B. P. Stojkovic, P. J. Hay, R. L. Martin and A. E. Garcia, J. Chem. Phys., 2000, 113, 6831.
45. S. Franzen, Proc. Natl. Acad. Sci. USA, 2002, 99, 16 754.
46. S. Franzen, J. Phys. Chem. B, 2002, 106, 4533.
47. J. N. Harvey, J. Am. Chem. Soc., 2000, 122, 12 401.
48. Jaguar, 4.0, Schrödinger, Inc., Portland, Oregon, 1996-2001.
49. J. W. Ponder, TINKER: Software Tools for Molecular Design, v4.0, Saint Louis, MO, 2003.
50. A. D. MacKerell, D. Bashford, M. Bellott, R. L. Dunbrack, J. D. Evanseck, M. J. Field, S. Fischer, J. Gao, H. Guo, S. Ha, D. Joseph-McCarthy, L. Kuchnir, K. Kuczera, F. T. K. Lau, C. Mattos, S. Michnick, T. Ngo, D. T. Nguyen, B. Prodhom, W. E. Reiher, B. Roux, M. Schlenkrich, J. C. Smith, R. Stote, J. Straub, M. Watanabe, J. Wiorkiewicz-Kuczera, D. Yin and M. Karplus, J. Phys. Chem. B, 1998, 102, 3586.
51. J. N. Harvey, unpublished work.
52. U. Ryde and M. H. M. Olsson, Int. J. Quantum Chem., 2001, 81, 335.
53. P. Sherwood, A. H. de Vries, M. F. Guest, G. Schreckenbach, C. R. A. Catlow, S. A. French, A. A. Sokol, S. T. Bromley, W. Thiel, A. J. Turner, S. Billeter, F. Terstegen, S. Thiel, J. Kendrick, S. C. Rogers, J. Casci, M. Watson, F. King, E. Karlsen, M. Sjovoll, A. Fahmi, A. Schafer and C. Lennartz, J. Mol. Struct. (THEOCHEM), 2003, 632, 1.
54. N. Reuter, A. Dejaegere, B. Maigret and M. Karplus, J. Phys. Chem. A, 2000, 104, 1720.
55. M. J. Field, M. Albe, C. Bret, F. Proust-De Martin and A. Thomas, J. Comput. Chem., 2000, 21, 1088.
56. R. B. Murphy, D. M. Philipp and R. A. Friesner, J. Comput. Chem., 2000, 21, 1442.
57. T. Vreven, K. Morokuma, O. Farkas, H. B. Schlegel and M. J. Frisch, J. Comput. Chem., 2003, 24, 760.
58. W. Forst, Theory of Unimolecular Reactions, Academic Press, 1973.
59. T. Baer and W. L. Hase, Unimolecular Reaction Dynamics, Oxford University Press, 1996.
60. J. C. Lorquet and B. Leyhnihant, J. Phys. Chem., 1988, 92, 4778.
61. Q. Cui, K. Morokuma, J. M. Bowman and S. J. Klippenstein, J. Chem. Phys., 1999, 110, 9469.
62. K. Morokuma, Q. Cui and Z. W. Liu, Faraday Discuss., 1998, 71.
63. A. J. Marks, J. Chem. Phys., 2001, 114, 1700.
64. N. E. Henriksen and F. Y. Hansen, Phys. Chem. Chem. Phys., 2002, 4, 5995.
65. J. Jortner and J. Ulstrup, J. Am. Chem. Soc., 1979, 101, 3744.
66. C. Zheng, V. Makarov and P. G. Wolynes, J. Am. Chem. Soc., 1996, 118, 2818.
67. H. Frauenfelder and P. G. Wolynes, Science, 1985, 229, 337.
68. J. B. Delos, J. Chem. Phys., 1973, 59, 2365.
69. J. N. Harvey, Struct. Bonding, 2004, in press.
70. J. Vojtechovsky, K. Chu, J. Berendzen, R. M. Sweet and I. Schlichting, Biophys. J., 1999, 77, 2153.
71. R. J. D. Miller, Acc. Chem. Res., 1994, 27, 145.
72. A. J. Turner, V. Moliner and I. H. Williams, Phys. Chem. Chem. Phys., 1999, 1, 1323.
73. C. W. Bauschlicher and H. Partridge, J. Chem. Phys., 1995, 103, 1788.
74. P. E. M. Siegbahn, Q. Rev. Biophys., 2003, 36, 91.
75. P. E. M. Siegbahn, Faraday Discuss., 2003, 124, 289.
76. O. Salomon, M. Reiher and B. A. Hess, J. Chem. Phys., 2002, 117, 4729.