Fragment molecular orbital method: Application to polypeptides

Chemical Physics Letters

Volumn 318, Issue 6, 2000, Pages 614-618

  Nakano, Tatsuya ^a   Kaminuma, Tsuguchika ^a   Sato, Toshiyuki ^b   Akiyama, Yutaka ^c   Uebayasi, Masami ^d   Kitaura, Kazuo ^e  

^a NATIONAL INSTITUTE OF HEALTH SCIENCES   (Japan)

^b Fuji Res Inst   (Japan)

^c Cardiovascular Diseases Research   (Japan)

^d NATL INST BIOSCI HUM TECHNOL   (Japan)

^e Osaka P   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001046021     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(00)00070-1     Document Type: Article

References (12)

1. Van Alsenoy C., Yu C.-H., Peeters A., Martin J.M.L., Schäfer L. J. Phys. Chem. A. 102:1998;2246.
2. Challacombe M., Schwegler E. J. Chem. Phys. 106:1997;5526.
3. Kitaura K., Sawai T., Asada T., Nakano T., Uebayasi M. Chem. Phys. Lett. 312:1999;319.
4. Kitaura K., Ikeo E., Asada T., Nakano T., Uebayasi M. Chem. Phys. Lett. 313:1999;701.
5. Hehre W.J., Stewart R.F., Pople J.A. J. Chem. Phys. 51:1969;2657.
6. Hehre W.J., Ditchfield R., Stewart R.F., Pople J.A. J. Chem. Phys. 52:1970;2769.
7. O. Kikuchi, T. Nakano, K. Morihashi, ABINIT, University of Tsukuba, Tsukuba, 1992.
8. M.J. Frisch et al., GAUSSIAN 98, Gaussian, Inc., Pittsburgh, PA, 1998.
9. INSIGHT II, Version 98.0, Molecular Simulations, Inc., San Diego, CA, 1998.
10. Cambridge Structural Database, Cambridge Crystallographic Data Centre, Cambridge, 1999.
11. Patterson W.R., Anderson D.H., DeGrado W.F., Cascio D., Eisenberg D. Protein Sci. 8:1999;1410.
12. MPI: A Message-Passing Interface Standard, MPI forum, 1995.