Peptide models XXV. Side-chain conformational potential energy surface, E = E(χ1, χ2) of N-formyl-L-aspartic acidamide and its conjugate base N- formyl-L-aspartatamide in their γ(L) backbone conformations

Journal of Molecular Structure: THEOCHEM

Volumn 497, Issue 1-3, 2000, Pages 39-63

  Salpietro, S J ^a   Perczel, A ^b,c   Farkas, O ^b,d   Enriz, R D ^e   Csizmadia, I G ^a  

^a UNIVERSITY OF TORONTO   (Canada)

^b EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^c UNIVERSITY OF OXFORD   (United Kingdom)

^d WAYNE STATE UNIVERSITY   (United States)

^e UNIVERSIDAD NACIONAL DE SAN LUIS   (Argentina)

Author keywords

3,3 Difluoropropionate ion; 3,3 Difluoropropionic acid; Backbone stabilization by carboxylate and carboxylic ions; Conformations for (L) backbone structure; N formyl L aspartatamide; N formyl L aspartic acidamide; Propionate ion; Propionic acid; Side chain

Indexed keywords

AMIDE; ASPARTIC ACID DERIVATIVE;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CONFORMATION; ENERGY; MOLECULAR MODEL; PEPTIDE ANALYSIS; STRUCTURE ANALYSIS;

EID: 0034143391     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00196-7     Document Type: Article

References (6)

1. E. Ruoslahti M.D. Pierschbacher Science 238 1987 491 497
2. O. Farkas S.J. Salpietro P. Csaszar I.G. Csizmadia J. Mol. Struct. (Theochem) 367 1996 25 31
3. O. Farkas M.A. McAllister J.H. Ma A. Perczel M. Hollosi I.G. Csizmadia J. Mol. Struct. (Theochem) 369 1996 105 114
4. Gaussian 94 , Revision D.2, M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian, Inc., Pittsburgh, PA, 1995.
5. M.A. McAllister A. Perczel P. Csaszar W. Viviani J. Rivail I.G. Csizmadia J. Mol. Struct. (Theochem) 288 1993 161 179
6. M.A. McAllister G. Endredi W. Viviani A. Perczel P. Csaszar J. Ladik J.L. Rivail I.G. Csizmadia Can. J. Chem. 73 1995 1563 1572