Side-chain conformational analysis of N-formyl-L-asparaginamide and N- acetyl-L-asparagine N-methylamide in their γ(L) backbone conformation

M. A. Berg, S. J. Salpietro, A. Perczel, Ö Farkas, I. G. Csizmadia

Research output: Article

22 Citations (Scopus)

Abstract

Ab initio molecular computations were carried out on N-formyl-L- asparaginamide at the RHF/3-21G level of theory and N-acetyl-L-asparagine N- methylamide at the RHF/3-21G and RHF/6-31G(d) levels of theory in their γ(L) backbone conformation. All side-chain conformations were explored for the parent amino acid diamide. The propanoic acidamide was used to model the idealized motion of the side-chain. (C) 2000 Elsevier Science B.V.

Original languageEnglish
Pages (from-to)127-139
Number of pages13
JournalJournal of Molecular Structure: THEOCHEM
Volume504
Issue number1-3
DOIs
Publication statusPublished - jún. 12 2000

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ASJC Scopus subject areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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