Theoretical study of the temperature dependence of dynamic effects in thymidylate synthase

Physical Chemistry Chemical Physics

Volumn 12, Issue 37, 2010, Pages 11657-11664

  Kanaan, Natalia ^a   Roca, Maite ^b   Tuñón, Iñaki ^b   Martí, Sergio ^a   Moliner, Vicent ^a,c  

^a UNIVERSITAT JAUME I   (Spain)

^b UNIVERSITY OF VALENCIA   (Spain)

^c LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

THYMIDYLATE SYNTHASE;

ARTICLE; BIOLOGICAL MODEL; CHEMICAL STRUCTURE; ENZYMOLOGY; ESCHERICHIA COLI; KINETICS; METABOLISM; TEMPERATURE;

ESCHERICHIA COLI; KINETICS; MODELS, BIOLOGICAL; MODELS, MOLECULAR; TEMPERATURE; THYMIDYLATE SYNTHASE;

EID: 77956545132     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c003799k     Document Type: Article

References (56)

1. M. García-Viloca, J. Gao, M. Karplus, D. G. Truhlar Science, 2004, 303, 186.
2. S. Martí, M. Roca, J. Andrés, V. Moliner, E. Silla, I. Tuñón, J. Bertrán Chem. Soc. Rev., 2004, 33, 98.
3. See, for instance, Chem. Rev., 106, 2006, devoted to Principles of Enzymatic Catalysis
4. A. Warshel, M. Levitt J. Mol. Biol., 1976, 103, 227.
5. M. J. Field, P. A. Bash, M. Karplus J. Comput. Chem., 1990, 11, 700.
6. J. Gao, in Reviews in computational chemistry, ed. K. B. Lipkowitz and D. B. Boyd, VCH, New York, 1995, vol. 7, pp. 119
7. M. J. Field, A Practical Introduction to the Simulation of Molecular Systems, Cambridge University Press, Cambridge, 2007
8. S. Martí, J. Andres, V. Moliner, E. Silla, I. Tuñón, J. Bertrán Chem. Soc. Rev., 2008, 37, 2634.
9. S. Martí, J. Andrés, V. Moliner, E. Silla, I. Tuñón, J. Bertrán, M. J. Field J. Am. Chem. Soc., 2001, 123, 1709.
10. P. Kollman Chem. Rev., 1993, 93, 2395.
11. S. J. Benkovic, S. Hammes-Schiffer Science, 2003, 301, 1196.
12. J. L. Radkiewicz, C. L. Brooks J. Am. Chem. Soc., 2000, 122, 225.
13. D. Antoniou, S. Schwartz J. Phys. Chem. B, 2001, 105, 5553.
14. R. Bulo, B. Ensing, J. Sikkema, L. Visscher J. Chem. Theory Comput., 2009, 5, 2212.
15. C. Cameron, S. Benkovic Biochemistry, 1997, 36, 15792.
16. M. Olsson, W. Parson, A. Warshel Chem. Rev., 2006, 106, 1737.
17. M. Roca, J. Andrés, V. Moliner, I. Tuñón, J. Bertrán J. Am. Chem. Soc., 2005, 127, 10648.
18. M. Roca, H. Liu, B. Messer, A. Warshel Biochemistry, 2007, 46, 15076.
19. J. Ruscio, J. Kohn, K. Ball, T. Head-Gordon J. Am. Chem. Soc., 2009, 131, 14111.
20. A. Soriano, E. Silla, I. Tuñón, M. Ruiz-López J. Am. Chem. Soc., 2005, 127, 1946.
21. R. Castillo, M. Roca, A. Soriano, V. Moliner, I. Tuñón J. Phys. Chem. B, 2008, 112, 529.
22. M. Roca, B. Messer, D. Hilvert, A. Warshel Proc. Natl. Acad. Sci. U. S. A., 2008, 105, 13877.
23. J. J. Ruiz-Pernía, I. Tuñón, V. Moliner, J. T. Hynes, M. Roca J. Am. Chem. Soc., 2008, 130, 7477.
24. H. Eyring J. Chem. Phys., 1935, 3, 107.
25. B. C. Garrett, D. G. Truhlar J. Chem. Phys., 1979, 70, 1593.
26. S. Glasstone, K. J. Laidler, and H. Eyring, The Theory of Rate Processes, McGraw-Hill, New York, 1941
27. J. C. Keck Adv. Chem. Phys., 1967, 13, 85.
28. W. H. Miller Acc. Chem. Res., 1993, 26, 174.
29. J. Villa, A. Warshel J. Phys. Chem. B, 2001, 105, 7887.
30. A. Warshel J. Biol. Chem., 1998, 273, 27035.
31. K. Nam, X. Prat-Resina, M. Garcia-Viloca, L. Devi-Kesavan, J. Gao J. Am. Chem. Soc., 2004, 126, 1369.
32. E. Neria, M. Karplus Chem. Phys. Lett., 1997, 267, 23.
33. C. Carreras, D. Santi Annu. Rev. Biochem., 1995, 64, 721.
34. W. H. Elliott, and D. C. Elliott, Biochemistry and Molecular Biology, Oxford University Press, New York, 2009
35. G. L. Patrick, An Introduction to Medicinal Chemistry, Oxford University Press, New York, 2005
36. N. Kanaan, S. Marti, V. Moliner, A. Kohen Biochemistry, 2007, 46, 3704.
37. N. Agrawal, B. Hong, C. Mihai, A. Kohen Biochemistry, 2004, 43, 1998.
38. N. Kanaan, S. Marti, V. Moliner, A. Kohen J. Phys. Chem. A, 2009, 113, 2176.
39. J. Finer-Moore, W. Montfort, R. Stroud Biochemistry, 1990, 29, 6977.
40. W. Montfort, K. Perry, E. Fauman, J. Finermoore, G. Maley, L. Hardy, F. Maley, R. Stroud Biochemistry, 1990, 29, 6964.
41. K. Perry, E. Fauman, J. Finermoore, W. Montfort, G. Maley, F. Maley, R. Stroud Proteins: Struct., Funct., Genet., 1990, 8, 315.
42. J. Antosiewicz, J. McCammon, M. Gilson J. Mol. Biol., 1994, 238, 415.
43. M. J. Field, P. Amara, L. David, and D. Rinaldo, 2006, Personal communication
44. J. H. Galivan, G. F. Maley, F. Maley Biochemistry, 1976, 15, 356.
45. M. Dewar, E. Zoebisch, E. Healy, J. Stewart J. Am. Chem. Soc., 1985, 107, 3902.
46. G. Kaminski, R. Friesner, J. Tirado-Rives, and W. Jorgensen, Symposium on Molecular Dynamics - The Next Millennium, New York, New York, 2000
47. W. Jorgensen, J. Chandrasekhar, J. Madura, R. Impey, M. Klein J. Chem. Phys., 1983, 79, 926.
48. U. Singh, P. Kollman J. Comput. Chem., 1986, 7, 718.
49. S. Kumar, D. Bouzida, R. Swendsen, P. Kollman, J. Rosenberg J. Comput. Chem., 1992, 13, 1011.
50. G. Torrie, J. Valleau J. Comput. Phys., 1977, 23, 187.
51. M. Allen, and D. Tildesley, Computer Simulation of Liquids, Clarendon, Oxford, 1989
52. W. Swope, H. Andersen, P. Berens, K. Wilson J. Chem. Phys., 1982, 76, 637.
53. L. Verlet Phys. Rev., 1967, 159, 98.
54. J. Bergsma, B. Gertner, K. Wilson, J. Hynes J. Chem. Phys., 1987, 86, 1356.
55. S. Martí, V. Moliner, I. Tuñón J. Chem. Theory Comput., 2006, 2, 216.
56. M. Page, J. McIver J. Chem. Phys., 1988, 88, 922.