Side-chain conformations for selected backbone conformations of N-acetyl-L-isoleucine-N-methylamide and N-acetyl-L-norisoleucine-N-methylamide. An exploratory ab initio study

Authors
Barroso, MN Cerutti, ES Rodriguez, AM Jauregui, EA Farkas, O Perczel, A Enriz, RD
Citation
Mn. Barroso et al., Side-chain conformations for selected backbone conformations of N-acetyl-L-isoleucine-N-methylamide and N-acetyl-L-norisoleucine-N-methylamide. An exploratory ab initio study, J MOL ST-TH, 548, 2001, pp. 21-37
Citations number
28
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
548
Year of publication
2001
Pages
21 - 37
Database
ISI
SICI code
0166-1280(20010730)548:<21:SCFSBC>2.0.ZU;2-J
Abstract
The Ramachandran or backbone potential energy surface (PES) of N-acetyl-L-i soleucine-N-methylamide has been explored using the a,a side-chain conforma tion. The side-chain conformational PES were generated with fixed backbone conformations: gamma (L), and beta (L), The beta (L), side-chain PES of the isoleucine derivative was compared to that of the nor-isoleucine derivativ e. (C) 2001 Elsevier Science B.V. All rights reserved.