Theoretical study of helical structure and chiral discrimination of cysteine dimer

被引：4
|
作者：
Liu, SZ
Zhou, ZY [1 ]
Gong, XL
Donga, XL
机构：
[1] Qufu Normal Univ, Chem Sci Coll, Dept Chem, Shandong 273165, Peoples R China
[2] Shandong Univ, State Key Lab Crystal Mat, Jinan 250100, Peoples R China
来源：
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2005年 / 717卷 / 1-3期
基金：
中国国家自然科学基金;
关键词：
density functional theory; helical structure; chiral discrimination; cysteine dimer;
D O I：
10.1016/j.theochem.2004.10.050
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 helical structure and chiral discrimination of cysteine dimer have been completely investigated in the present study using density functional theory method B3LYP at the 6-31G level. Three reasonable geometries on the potential energy hypersurface of the cysteine-cysteine system are considered with the global minimum. The optimized geometric parameters and interaction energies for various isomers at the 6-31G level are estimated. (c) 2004 Elsevier B.V. All rights reserved.
引用
收藏
页码：121 / 125
页数：5
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