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

Authors
Berg, MA Salpietro, SJ Perczel, A Farkas, O Csizmadia, IG
Citation
Ma. Berg et al., Side-chain conformational analysis of N-formyl-L-asparaginamide and N-acetyl-L-asparagine N-methylamide in their gamma(L) backbone conformation, J MOL ST-TH, 504, 2000, pp. 127-139
Citations number
6
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
504
Year of publication
2000
Pages
127 - 139
Database
ISI
SICI code
0166-1280(20000612)504:<127:SCAONA>2.0.ZU;2-#
Abstract
Ab initio molecular computations were carried out on N-formyl-L-asparaginam ide at the RHF/3-21G level of theory and N-acetyl-L-asparagine N-methylamid e at the RHF/3-21G and RHF/6-31G(d) levels of theory in their gamma(L) back bone conformation. All side-chain conformations were explored for the paren t amino acid diamide, The propanoic acidamide was used to model the idealiz ed motion of the side-chain. (C) 2000 Elsevier Science B.V. All rights rese rved.