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

Authors
Tarditi, AM Klipfel, MW Rodriguez, AM Suvire, FD Chasse, GA Farkas, O Perczel, A Enriz, RD
Citation
Am. Tarditi et al., An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide, J MOL ST-TH, 545, 2001, pp. 29-47
Citations number
37
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
545
Year of publication
2001
Pages
29 - 47
Database
ISI
SICI code
0166-1280(20010709)545:<29:AAIESO>2.0.ZU;2-O
Abstract
The backbone potential energy surface (PES) (Ramachandran map) of N-acetyl- L-glutamine-M-methylamide has been studied at aa side-chain orientation. Si de-chain PESs at selected backbone conformations (gamma (L) and beta (L)) w ere also studied. Side-chain-backbone interactions were analyzed in terms o f energy and geometry. (C) 2001 Elsevier Science BY. All rights reserved.