AM1 Study of N-2-Acetylaminofluorene bonded to Deoxyguanosine at the Minor Adduct Site

被引：0

作者：

M. Besson

E.P. Batchelor

机构：

[1] Villanova University,Department of Physics

[2] University of Pennsylvania,Department of Physics and Astronomy

来源：

Journal of Biological Physics | 2004年 / 30卷

关键词：

deoxyguanosine; -2-ac;

D O I：

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中图分类号：

学科分类号：

摘要：

We have computed the total energy as a function of six important torsion angles of the carcinogen N-2-acetylaminofluorene (AAF) bonded to thenitrogen N2 of deoxyguanosine using the semiempirical quantum mechanical method AM1. One global minimum and one local minimum are found separated by a modest barrier. We have computed the normal-mode frequencies of the relevant torsional motions and have determined the rate of conversion betweenthe two minima.

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页码：161 / 169

页数：8

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