Side-chain conformations for selected backbone conformations of N-acetyl-L-isoleucine-N-methylamide and N-acetyl-L-nor-isoleucine-N-methylamide. An exploratory ab initio study

M.N. BARROSO; E.S. CERUTTI; A.M. RODRIGUEZ; E.A. JAUREGUI; O. FARKAS; A. PERCZEL; R. D. ENRIZ

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM

Elsevier Science

Lugar: Headquartered in Amsterdam, The Netherlands; Año: 2001 vol. 548 p. 21 - 37

0166-1280

The Ramachandran or backbone potential energy surface (PES) of N-acetyl-L-isoleucine-N-methylamide has been explored using the a,a side-chain conformation. The side-chain conformational PES were generated with fixed backbone conformations: ãL and âL. The âL side-chain PES of the isoleucine derivative was compared to that of the nor-isoleucine derivative.