Oxidative Damage to DNA
ORAL
Abstract
The initial stage of the reaction of a guanine radical cation with water is investigated using ab-initio methods coupled with molecular mechanics. We explore the influence of the sugar- phosphate backbode, the complementary cytosine base, the adjacent base pairs in the B-DNA double strand, the state of hydration, and finally the distribution of counter-ions on the barrier and reaction path leading to 8-oxo-G.
*Supported by US DoE and National Science Foundation
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