Peptide models XXIX.: cis-trans Isomerism of peptide bonds:: ab initio study on small peptide model compound;: the 3D-Ramachandran map of formylglycinamide

被引：34

作者：

Baldoni, HA

Zamarbide, GN

Enriz, RD ^{[1
]}

Jauregui, EA

Farkas, Ö

Perczel, A

Salpietro, SJ

Csizmadia, IG

机构：

[1] Univ Nacl San Luis, Dept Quim, RA-5700 San Luis, Argentina

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

[3] Univ Oxford, Dept Biochem, Oxford OX1 3QU, England

[4] Univ Toronto, Dept Chem, Toronto, ON M5S 3H6, Canada

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2000年 / 500卷

关键词：

trans- and cis-Ramachandran maps; topology of a 3D-Ramachandran map; relative stability of cis- and trans-peptide bonds; barriers to trans- to cis-isomerization;

D O I：

10.1016/S0166-1280(00)00372-9

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：

Thermodynamic separations for cis and trans-amides and formylglycinamide range from 0.00 to 4.77 kcal/mol as computed at various levels of theory. The barriers for trans --> cis-isomerization, for the same set of compounds, computed at various levels of theory, were found between 15.69 and 22.67 kcal/mol. The cis- and trans-Ramachandran maps of formylglycinamide are compared and the topology of the ab initio 3D-Ramachandran map is presented for the first time. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：97 / 111

页数：15

共 27 条

[1] CIS-TRANS ISOMERISM OF PEPTIDE BOND [J].