An ab initio exploratory study on the conformational features of the dipeptide MeCO-Ala-Ala-NH-Me in its four different configurations: Determination of the behaviour of D-enantiomer amino acids within a peptide chain

Journal of Molecular Structure: THEOCHEM

Volumn 666-667, Issue , 2003, Pages 291-301

  Brijbassi, Sonya U ^a,b   Sahai, Michelle A ^a,b   Setiadi, David H ^a   Chass, Gregory A ^a,b,c,d   Penke, Botond ^e   Csizmadia, Imre G ^a,b,e  

^a Global Inst Compl Molec Mat Sci   (Canada)

^b UNIVERSITY OF TORONTO   (Canada)

^c Inst Sci d'Ingenierie S   (France)

^d CREIGHTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

^e UNIVERSITY OF SZEGED   (Hungary)

Author keywords

Ab initio; D Enantiomer; Dipeptides; L Enantiomer; Protein folding; Ramachandran maps

Indexed keywords

AMINO ACID DERIVATIVE; DIPEPTIDE DERIVATIVE; PEPTIDE;

AB INITIO CALCULATION; CONFERENCE PAPER; CONFORMATIONAL TRANSITION; ENANTIOMER; ENERGY; PEPTIDE ANALYSIS; PHYSICAL CHEMISTRY; PROTEIN CONFORMATION;

EID: 1642574356     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.08.034     Document Type: Conference Paper

References (5)

1. M.A. Sahai, S. Lovas, G.A. Chass, B. Penke, I.G. Csizmadia, J. Mol. Struct. (THEOCHEM), in this issue.
2. Daniel R.A., Errington J. Cell 113. 6:2003;767-776.
3. Chass G.A., Sahai M.A., Law J.M.S., Lovas S., Farkes Ö., Perczel A., Rivail J.-L., Csizmadia I.G. Int. J. Quantum Chem. 90:2002;933-968.
4. 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, Ö. 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, 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.9, Gaussian, Inc., Pittsburgh PA, 2001.
5. Perczel A., Angyan J.G., Kajtar M., Viviani W., Rivail J.L., Marcoccia J.F., Csizmadia G. J. Am. Chem. Soc. 113:1991;6256-6265.