Transition of prolyl puckering in a model of polyproline

Journal of Molecular Structure: THEOCHEM

Volumn 718, Issue 1-3, 2005, Pages 17-21

  Kang, Young Kee ^a   Park, Hae Sook ^b  

^a Chungbuk National University   (South Korea)

^b Cheju Halla University   (South Korea)

Author keywords

Ab initio and density functional calculations; Ac Pro NMe2; Polyproline; Transition of prolyl puckering

Indexed keywords

PROLINE DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CONFORMATION; DENSITY FUNCTIONAL THEORY; MODEL;

EID: 15044358935     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.10.081     Document Type: Article

References (30)

1. J.S. Richardson, and D.C. Richardson G.D. Fasman Prediction of Protein Structure and the Principles of Protein Conformation 1989 Plenum New York 1
2. F.A. Momany, R.F. McGuire, A.W. Burgess, and H.A. Scheraga J. Phys. Chem. 79 1975 2361
3. R. Balasubramanian, A.V. Lakshminarayanan, M.N. Sabesan, G. Tegoni, K. Venkatesan, and G.N. Ramachandran Int. J. Protein Res. 3 1971 25
4. D.F. DeTar, and N.P. Luthra J. Am. Chem. Soc. 99 1977 1232
5. V. Madison Biopolymers 16 1977 2671
6. E.J. Milner-White, L.H. Bell, and P.H. Maccallum J. Mol. Biol. 228 1992 725
7. D. Pal, and P. Chakrabarti J. Mol. Biol. 294 1999 271
8. L. Vitagliano, R. Berisio, A. Mastrangelo, L. Mazzarella, and A. Zagari Protein Sci. 10 2001 2627
9. R.E. London J. Am. Chem. Soc. 100 1978 2678
10. S.K. Sarkar, P.E. Young, and D.A. Torchia J. Am. Chem. Soc. 108 1986 6459
11. Z.L. Mádi, C. Griesinger, and R.R. Ernst J. Am. Chem. Soc. 112 1990 2908
12. S.J. Han, and Y.K. Kang J. Mol. Struct. (Theochem) 369 1996 157
13. L. Carballeira, I. Pérez-Juste, and C.V. Alsenoy J. Phys. Chem. A 106 2002 3873
14. M. Ramek, A.-M. Kelterer, and S. Nikolić Int. J. Quantum Chem. 65 1997 1033
15. S.G. Stepanian, I.D. Reva, E.D. Radchenko, and L. Adamowicz J. Phys. Chem. A 105 2001 10664
16. H.A. Badoni, A.M. Rodriguez, M.A. Zamora, G.N. Zamarbide, R.D. Enriz, Ö. Farkas, P. Császár, L.L. Torday, C.P. Sosa, I. Jàkli, A. Perzel, J.G. Papp, M. Hollosi, and I.G. Csizmadia J. Mol. Struct. (Theochem) 465 1999 79
17. M. Ramek, A.-M. Kelterer, B.J. Teppen, and L. Schäfer J. Mol. Struct. 352/353 1995 59
18. Y.K. Kang J. Phys. Chem. B 108 2004 5463
19. J.S. Jhon, and Y.K. Kang J. Phys. Chem. A 103 1999 5436
20. Y.K. Kang, and H.S. Park J. Mol. Struct. (Theochem) 593 2002 55
21. Y.K. Kang, and H.Y. Choi Biophys. Chem. 111 2004 135
22. 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, 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, C. Gonzalez, 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.7, Gaussian, Inc., Pittsburgh, PA, 1998.
23. Y.K. Kang J. Phys. Chem. 100 1996 11589
24. Y.K. Kang J. Mol. Struct. (Theochem) 675 2004 37 (special issue)
25. G.N. Ramachandran, and V. Sasisekharan Adv. Protein Chem. 23 1968 283
26. G. Némethy, K.D. Gibson, K.A. Palmer, C.N. Yoon, G. Paterlini, A. Zagari, S. Rumsey, and H.A. Scheraga J. Phys. Chem. 96 1992 6472
27. S.S. Zimmerman, M.S. Pottle, G. Némethy, and H.A. Scheraga Macromolecules 10 1977 1
28. Y.K. Kang J. Mol. Struct. (Theochem) 546 2001 183
29. A.G. Császár, and A. Perczel Prog. Biophys. Mol. Biol. 71 1999 243
30. K.B. Wiberg J. Comput. Chem. 25 2004 1342