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- W33730532 abstract "Static and dynamic molecular views of a short segment of DNA modified by the tumorigenic aromatic amine 2-acetylaminofluorene (AAF) have been realized by a combination of high resolution nuclear magnetic resonance (NMR) studies in solution and molecular mechanics and molecular dynamics simulations carried out on supercomputers. Thus, the effect of AAF on the structure of the Watson-Crick B-DNA double helix has been elucidated, after two decades of intense interest, via a powerful synergy between state-of-the-art supercomputing NMR investigations. The AAF is situated in the minor groove of a B-DNA double helix which flexes and bends, and the carcinogen moves between positions where it is stacked with adjacent DNA base and positions where it protrudes further into the groove. The AAF modified DNA base, guanine, is displaced from its normal situation paired with partner cytosine. Also, a base pair adjacent to the modification becomes more mobile. These molecular views offer some possible insight on the early molecular events that may implicate AAF in tumor initiation. 16 refs., 3 figs." @default.
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- W33730532 date "1991-01-01" @default.
- W33730532 modified "2023-09-23" @default.
- W33730532 title "Static and animated molecular views of a tumorigenic chemical bound to DNA" @default.
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