An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide

A. M. Tarditi, M. W. Klipfel, A. M. Rodriguez, F. D. Suvire, G. A. Chasse, O. Farkas, A. Perczel, R. D. Enriz

Research output: Contribution to journalArticle

21 Citations (Scopus)

Abstract

The backbone potential energy surface (PES) (Ramachandran map) of N-acetyl-L-glutamine-N-methylamide has been studied at a,a side-chain orientation. Side-chain PESs at selected backbone conformations (γL and βL) were also studied. Side-chain-backbone interactions were analyzed in terms of energy and geometry.

Original languageEnglish
Pages (from-to)29-47
Number of pages19
JournalJournal of Molecular Structure: THEOCHEM
Volume545
Issue number1-3
DOIs
Publication statusPublished - Jul 9 2001

Keywords

  • Ab initio MO study
  • Peptide conformations
  • Ramachandran map of glutamine residue
  • Side-chain orientation in glutamine
  • Side-chain-backbone interactions

ASJC Scopus subject areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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