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Computer modelling studies of the covalent interactions between DNA and the enantiomers of anti-7,8-diol,9,10-epoxy-benzo[a]pyrene.

作者信息

Aggarwal A K, Islam S A, Neidle S

机构信息

Department of Biophysics, King's College University of London, England.

出版信息

J Biomol Struct Dyn. 1983 Dec;1(4):873-81. doi: 10.1080/07391102.1983.10507490.

DOI:10.1080/07391102.1983.10507490
PMID:6443878
Abstract

The molecular structures of adducts between the + and - enantiomers of 7,8-diol 9,10-epoxy benzo[a]pyrene and a double-stranded model for DNA, have been examined by empirical energy calculations. Low-energy structures were only obtained for A form, and not B form DNA. Both + and - adducts are of approximately equal energy. Some structural differences in the orientation of the BP chromophore in the two adducts were found.

摘要

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