INVESTIGADORES
ENRIZENRIZ] ricardoricardo] danieldaniel]
artículos
Título:
Peptide models XXV. Side-chain conformational potential energy surface, E ˆ E…x1;x2† of N-formyl-l-aspartic acidamide and its conjugate base N-formyl-l-aspartatamide in their gl backbone conformations
Autor/es:
S.J.SALPIETRO; A.PERCZEL; O.FARKAS; ENRIZENRIZ] R.D.; I.G. CSIZMADIA
Revista:
JOURNAL OF MOLECULAR STRUCTURE THEOCHEM
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Lugar: Amsterdam; Año: 2000 vol. 497 p. 39 - 39
ISSN:
0166-1280
Resumen:
Ab initio molecular computations were carried out on the gl backbone conformation of N-formyl-l-aspartic acidamide and its conjugate base N-formyl-l-aspartatamide at the HF/3-21G level of theory. All side-chain conformations were explored for the parent amino acid diamide and its conjugate base. Propionate ion, propionic acid, 3,3-difluoropropionate ion and 3,3- difluoropropionic acid were used to model the side-chain in the anionic and neutral compounds. q2000 Elsevier Science B.V. All rights reserved.
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