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

被引：21

作者：

Barroso, MN

Cerutti, ES

Rodríguez, AM

Jáuregui, EA

Farkas, O

Perczel, A

Enriz, RD

机构：

[1] Natl Univ San Luis, Dept Chem, Chacabuco 915, RA-5700 San Luis, Argentina

[2] Eotvos Lorand Univ, Inst Organ Chem, H-1117 Budapest 112, Hungary

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2001年 / 548卷

关键词：

L-isoleucine residue; side-chain orientation; isoleucine residue; nor-isoleucine residue; side-chain-backbone interactions; ab initio MO study; peptide conformations;

D O I：

10.1016/S0166-1280(01)00355-4

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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: gamma (L), and beta (L), The beta (L), side-chain PES of the isoleucine derivative was compared to that of the nor-isoleucine derivative. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：21 / 37

页数：17

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