Quantum chemical modeling of Co-C bond activation in B12-dependent enzymes

被引：38
|
作者：
Kozlowski, PM [1 ]
机构：
[1] Univ Louisville, Dept Chem, Louisville, KY 40292 USA
来源：
CURRENT OPINION IN CHEMICAL BIOLOGY | 2001年 / 5卷 / 06期
关键词：
D O I：
10.1016/S1367-5931(01)00273-3
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
Recent progress in computational modeling of the catalytic activation of cobalt-carbon bond cleavage shows that quantum chemical calculations could be an important part of coenzyme B-12 research. Particular emphasis has been placed on density functional theory, which is now emerging as a powerful too[ to elucidate the electronic structure and spectroscopic properties of the active sites of metalloenzymes.
引用
收藏
页码：736 / 743
页数：8
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