Ab initio investigations of dipeptide structures

Journal of Molecular Structure: THEOCHEM

Volumn 679, Issue 1-2, 2004, Pages 65-72

  Keefe, C Dale ^a   Pearson, Jason K ^a  

^a CAPE BRETON UNIVERSITY   (Canada)

Author keywords

Ab initio calculations; Bond angles; Bond lengths; Dipeptide structure; Peptide bond

Indexed keywords

DIPEPTIDE;

AB INITIO CALCULATION; ACCURACY; ARTICLE; CONFORMATIONAL TRANSITION; PEPTIDE ANALYSIS; PROTEIN CONFORMATION; PROTEIN CROSS LINKING; PROTEIN FOLDING; STRUCTURE ANALYSIS;

EID: 2542437832     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.04.005     Document Type: Article

References (42)

1. Campbell N.A. In Biology. 4th ed. 1996;Cummings Publishing Company, New York
2. Garrett R.H. In Biochemistry. 2nd ed. 1999;Saunders College Publishing, New York. Chapter 5
3. Garrett R.H. In Biochemistry. 1999;Saunders College Publishing, New York. Chapter 6
4. Anfinsen C. The Molecular Basis of Evolution. 1959;Wiley, New York
5. Gierasch L.M., King J. Protein Folding, Deciphering the Second Half of the Genetic Code. 1990;American Association for the Advancement of Science, Washington
6. Hardin C., Pogorelov T.V., Luthey-Schulten Z. Curr. Opin. Struct. Biol. 12:2002;176
7. Chasse G.A., Rodriguez A.M., Mak M.L., Deretey E., Perczel A., Sosa C.P., Enriz R.D., Csizmadia I.G. J. Mol. Struct. (Theochem). 537:2001;319
8. Ramani R., Boyd R.J. Int. J. Quantum Chem. Quantum Biol. Symp. 8:1981;117
9. Ramani R., Boyd R.J. Can. J. Chem. 59:1981;3232
10. Boyd R.J., Perkyns J.S., Ramani R. Can. J. Chem. 61:1983;1082
11. Ryan J.A., Whitten J.L. J. Am. Chem. Soc. 94:1972;2396
12. Peters D., Peters J. J. Mol. Struct. 109:1984;137
13. Peters D., Peters J. J. Mol. Struct. 68:1980;243
14. Peters D., Peters J. J. Mol. Struct. 53:1979;103
15. Peters D., Peters J. J. Mol. Struct. 69:1980;249
16. Wright L.R., Boskman R.F. J. Phys. Chem. 86:1982;3956
17. van Duijnen P.T., Thole B.T. Biopolymers. 21:1982;1749
18. Schafer L., Alsenoy C.V., Scardale J.N. J. Chem. Phys. 76:1982;1439
19. Siam K., Klimkowski V.J., van Alsenoy C., Ewbank J.D., Schafer L. J. Mol. Struct. (Theochem). 152:1987;261
20. Siam K., Kulp S.Q., Ewbank J.D., Schafer L., van Alsenoy C. J. Mol. Struct. (Theochem). 184:1989;143
21. Weiner S.J., Singh V.C., O'Donnell T.J., Kollman P.A. J. Am. Chem. Soc. 106:1984;6243
22. Sapse A.M., Fugler L.M., Cowburn D. Int. J. Quantum Chem. Phys. Lett. 29:1986;1241
23. Chean T.C., Krimm S. J. Mol. Struct. (Theochem). 188:1989;15
24. Chean T.C., Krimm S. J. Mol. Struct. 193:1989;1
25. Perczel A., Angyin J.G., tar M.K., Viviani W., Rivail J.-L., Marcoccia J.-F., Csizmadia I.G. J. Am. Chem. Soc. 113:1991;6256
26. Head-Gordon T., Head-Gordon M., Frish M.J., Brooks C., Pople J. Int. J. Quantum Chem., Quantum Biol. Symp. 16:1989;311
27. Head-Gordon T., Head-Gordon M., Frish M.J., Brooks C., Pople J. J. Am. Chem. Soc. 113:1991;5989
28. Frey R.F., Coffin J., Newton S.Q., Ramek M., Cheng V.K.W., Momany F.A., Schafer L. J. Am. Chem. Soc. 114:1992;5369
29. Perczel A., Farkas Ö., Csizmadia I.G. J. Mol. Struct. (Theochem). 118:1996;7809
30. Baldoni H.A., Rodriguez A.M., Zamora M.A., Zamarbide G.N., Enriz R.D., Farkas Ö., Csàszàr P., Torday L.L., Sosa C.P., Jàkli I., Perzel A., Papp J.G., Hollosi M., Csizmadia I.G. J. Mol. Struct. (Theochem). 465:1999;79
31. Bagyi I., Balgoh B., Czajlik A., Elias O., Gaspari Z., Gergely V., Hudaky I., Hudaky P., Kalaszi A., Karolyhazy L., Keseru K., Kiss R., Krajsovszky G., Lang B., Nagy T., Racz A., Szentesi A., Tabi T., Tapolcsanyi P., Vaik J., Koo J.C.P., Chass G.A., Farkas O., Perczel A., Matyus P. J. Mol. Struct. (Theochem). 625:2003;121
32. Farkas Ö., McAllister M.A., Ma J.H., Perczel A., Hollósi M., Csizmadia I.G. J. Mol. Struct. (Theochem). 369:1996;105
33. Masman M.F., Amaya M.G., Rodriguez A.M., Suvire F.D., Chasse G.A., Farkas O., Perczel A., Enriz R.D. J. Mol. Struct. (Theochem). 543:2001;203
34. Shirazian S., Gronert S. J. Mol. Struct. (Theochem). 397:1997;107
35. Tarditi A.M., Klipfel M.W., Rodriguez A.M., Suvire F.D., Chasse G.A., Farkas O., Perczel A., Enriz R.D. J. Mol. Struct. (Theochem). 545:2001;29
36. Ramachandran G.N. Biopolymers. 6:1963;1494
37. Ramachandran G.N., Ramakrishnan C., Sasisekharan V. J. Mol. Biol. 7:1963;95
38. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, N. Rega, P. Salvador, J. J. Dannenberg, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, J. A. Pople. GAUSSIAN 98, Revision A.11.4; Gaussian, Inc.: Pittsburgh, PA, 2002.
39. Zhao Y.-L., Wu Y.-D. J. Am. Chem. Soc. 124:2002;1570
40. Skolnick J., Kolinski A. Comput. Sci. Eng. 3:2001;40
41. Blaber M., Zhang X., Mattews B.W. Science. 260:1993;1637
42. Blaber M., Zhang X., Lidstrom J.D., Pepiot S.D., Basse W.A., Mattews B.W. J. Mol. Biol. 235:1994;600