Classical trajectory mapping approach for simulations of chemical reactions in solution and in enzymes

Journal of Physical Chemistry

Volumn 100, Issue 2, 1996, Pages 909-912

  Hwang, Jenn Kang ^a   Pan, Jiann Jong ^a  

^a NATIONAL TSING HUA UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0345199232     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp951457b     Document Type: Article

References (28)

1. Hwang, J.-K.; Pan, J. J. Chem. Phys. Lett. 1995, 243, 171-175.
2. Warshel, A.; Levitt, M. J. Mol. Biol. 1976, 103, 227-249.
3. Kollman, P. A.; Hayes, D. M. J. Am. Chem. Soc. 1981, 103, 2955.
4. Field, M. J.; Bash, P.; Karplus, M. J. Comput. Chem. 1990, 11, 700-733.
5. Luzhkov, V.; Warshel, A. J. Am. Chem. Soc. 1991, 113, 4491-4499.
6. Gao, J.; Xia, X. Science 1992, 258, 631-635.
7. Luzhkov, V.; Warshel, A. J. comput. Chem. 1992, 13, 199-213.
8. Warshel, A.; Lappicirella, A. J. Am. Chem. Soc. 1981, 103, 4664.
9. Warshel, A.; Weiss, R. M. J. Am. Chem. Soc. 1980, 102, 6218-6226.
10. Åqvist, A.; Warshel, A. J. Mol. Biol. 1992, 224, 7.
11. Hwang, J.-K.; King, G.; Creighton, S.; Warshel, A. J. Am. Chem. Soc. 1988, 110, 5297.
12. Åqvist, J.; Warshel, A. Chem. Rev. 1993, 93, 2523-2544.
13. Stewart, J. J. P. J. Comput. Chem. 1989, 10, 221-264.
14. Eigen, M.; de Maeyer, L. Z. Elektrochem. 1955, 59, 986.
15. Warshel, A.; Russell, S. T. Q. Rev. Biophys. 1984, 17, 283-422.
16. Polgar, L. FEBS Lett. 1974, 47, 15-18.
17. Davies, T. D.; Maggiora, G. M.; Christoffersen, R. E. J. Am. Chem. Soc. 1974, 96, 7878.
18. Christoffersen, R. E.; Maggiora, G. M. Chem. Phys. Lett. 1969, 3, 419.
19. Singh, U. C.; Kollman, P. A. J. Comput. Chem. 1986, 7, 718.
20. Warshel, A.; Creighton, S. Computer Simulation of Biomolecules Systems; ESCOM: Leiden, 1989; p 120.
21. Warshel, A. Computer Modeling of Chemical Reactions in Enzymes and Solutions; John Wiley: New York, 1991.
22. Kamphuis, I. G.; Kalk, K. H.; Swarte, M. B. A.; Drenth, J. J. Mol. Biol. 1984, 179, 233-256.
23. Warshel, A.; King, G. Chem. Phys. Lett. 1985, 121, 124-129.
24. Lee, F. S.; Chu, Z. T.; Warshel, A. J. Comput. Chem. 1992, 14, 161-185.
25. Lee, F. S.; Warshel, A. J. Chem. Phys. 1992, 97, 3100-3107.
26. Chandrasekhar, J.; Smith, S. F.; Jorgensen, W. J. Am. Chem. Soc. 1985, 107, 154-163.
27. Warshel, A.; Hwang, J.-K.; Åqvist, J. Faraday Discuss. 1992, 93, 225-238.
28. Ménard, R.; Khouri, H. E.; Plouffe, C.; Laflamme, P.; Dupras, R.; Vernet, T.; Tessier, D. C.; Thomas, D. Y.; Storer, A. Biochemistry 1991, 30, 5531-5538.