An all-electron calculation of an antihypertensive protein with the Gaussian-based density functional method

Chemical Physics Letters

Volumn 310, Issue 5-6, 1999, Pages 523-529

  Sato, Fumitoshi ^a   Yoshihiro, Tamotsu ^a   Okazaki, Isao ^a   Kashiwagi, Hiroshi ^a  

^a KYUSHU INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0041460270     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(99)00813-1     Document Type: Article

References (35)

1. White C.A., Johnson B.G., Gill P.M.W., Head-Gordon M. Chem. Phys. Lett. 230:1994;8.
2. White C.A., Johnson B.G., Gill P.M.W., Head-Gordon M. Chem. Phys. Lett. 253:1996;268.
3. White C.A., Head-Gordon M. Chem. Phys. Lett. 257:1996;647.
4. White C.A., Head-Gordon M. J. Chem. Phys. 104:1996;2620.
5. B.G. Johnson, C.A. White, Q. Zhang, B. Chen, R.L. Graham, P.M.W. Gill, M. Head-Gordon, Recent Developments and Applications of Modern Density Functional Theory, vol. 4, Elsevier, 1996, pp. 441-463.
6. Dombroski J.P., Taylor S.W., Gill P.M.W. J. Phys. Chem. 100:1996;6272.
7. Foster I.T., Tilson J.L., Wagner A.F., Shepard R.L., Harrison R.J., Kendall R.A., Lettlefield R.J. J. Comp. Chem. 17:1996;109.
8. Stewart J.J.P. Int. J. Quantum Chem. 58:1996;133.
9. Sato F., Shigemitsu Y., Okazaki I., Yahiro S., Fukue M., Kozuru S., Kashiwagi H. Int. J. Quantum Chem. 63:1997;245.
10. Challacombe M., Schwegler E. J. Chem. Phys. 106:1997;5526.
11. Sakuma T., Kashiwagi H., Takada T., Nakamura H. Int. J. Quantum Chem. 61:1997;137.
12. Andzelm J., Wimmer E. J. Chem. Phys. 96:1992;1280.
13. B. Stroustrup, The C++ Programming Language, 2nd edn., Addison-Wesley, 1991.
14. Kohn W., Sham L.J. Phys. Rev. A. 140:1965;1133.
15. J.K. Labanowski, J.K. Andzelm, Density Functional Methods in Chemistry, Springer, New York, 1991.
16. L. Beress, I.-S. Doppelfeld, E. Etschenberg, E. Graf, A. Henschen, J. Zwick, Federal Republic of Germany Patent, 1985, DE 3324689 A1.
17. Driscoll P.C., Clore G.M., Beress L., Gronenborn A.M. Biochemistry. 28:1989;2178.
18. Driscoll P.C., Gronenborn A.M., Beress L., Clore G.M. Biochemistry. 28:1989;2188.
19. Protein Data Bank, Brookhaven National Laboratory, USA.
20. D.A. Pearlman, D.A. Case, J.W. Caldwell, W.S. Ross, T.E. Cheatham III, D.M. Ferguson, G.L. Seibel, U.C. Singh, P.K. Weiner, P.A. Kollman, AMBER 4.1, Unversity of California, San Francisco, CA, 1995.
21. Vosko S.H., Wilk L., Nusair M. Can. J. Phys. 58:1980;1200.
22. Sobolev S.L. Sov. Math. 3:1962;1307.
23. Lebedev V.I. Zh. Vychisl. Mat. Mat. Fiz. 16:1976;293.
24. Becke A.D. J. Chem. Phys. 88:1988;2547.
25. Godbout N., Salahub D.R., Andzelm J., Wimmer E. Can. J. Chem. 70:1992;520.
26. Dunlap B.I., Connolly J.W.D., Sabin J.R. J. Chem. Phys. 71:1979;2296.
27. Dunlap B.I., Connolly J.W.D., Sabin J.R. J. Chem. Phys. 71:1979;4993.
28. Andzelm J., Radzio E., Salahub D.R. J. Comp. Chem. 6:1985;520.
29. Pulay P. Chem. Phys. Lett. 73:1980;393.
30. Pulay P. J. Comp. Chem. 3:1982;556.
31. Eley D.D., Spivey D.I. Trans. Faraday Soc. 56:1960;1432.
32. D.D. Eley, R.B. Leslie, Electronic Aspects of Biochemistry, Academic Press, New York, 1964, pp. 105-117.
33. J.J. Ladik, Submolecular Biology and Cancer, Ciba Foundation Series (new series), 1979, pp. 51-63.
34. Suhai S., Kaspar J., Ladik J. Int. J. Quantum Chem. 17:1980;995.
35. Okazaki I., Sato F., Yoshihiro T., Ueno T., Kashiwagi H. J. Mol. Struct. (THEOCHEM). 451:1998;109.