Description of peptide and protein secondary structures employing semiempirical methods

Journal of Computational Chemistry

Volumn 22, Issue 5, 2001, Pages 509-520

  Möhle, Kerstin ^a   Hofmann, Hans Jörg ^b   Thiel, Walter ^c  

^a UNIVERSITY OF ZURICH   (Switzerland)

^b UNIVERSITY OF LEIPZIG   (Germany)

^c MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

Author keywords

Conformational analysis; Peptide secondary structures; Semiempirical MO methods

Indexed keywords

EID: 0035871701     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/1096-987X(20010415)22:5<509::AID-JCC1022>3.0.CO;2-K     Document Type: Article

References (15)

1. Thiel, W. Ad v Chem Phys 1996, 93, 703.
2. Thiel, W. J Mol Struct (Theochem) 1997, 398, 1.
3. Lee, T.-S.; York, D. M.; Yang, W. J Chem Phys 1996, 105, 2744.
4. Dixon, S. L.; Merz, K. M., Jr. J Chem Phys 1996, 104, 6643.
5. Stewart, J. J. P. Int J Quantum Chem 1996, 58, 133.
6. Daniels, A. D.; Millam, J. M.; Scuseria, G. E. J Chem Phys 1997, 107, 425.
7. Daniels, A. D.; Scuseria, G. E. J Chem Phys 1998, 110, 1321.
8. Warshel, A.; Levitt, M. J Mol Biol 1976, 103, 227.
9. Field, M. J.; Bash, P. A.; Karplus, M. J Comput Chem 1990, 11, 700.
10. Aqvist, J.; Warshel, A. Chem Rev 1993, 93, 2523.
11. Gao, J. Reviews in Computational Chemistry; Lipkowitz, K. B.; Boyd, D. B., Eds.; VCH: New York, 1995, p. 119, vol. 7.
12. Mordasini, T. Z.; Thiel, W. Chimia 1998, 52, 288.
13. Monard, G.; Merz, K. M., Jr. Ace Chem Res 1999, 32, 904.
14. Friesner, R. A.; Beachy, M. D. Curr Opin Struct Biol 1998, 8, 257.
15. Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. J Am Chem Soc 1985, 107, 3902.