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Hoffmann, R. A wiki for the life sciences where authorship matters. Nature Genetics (2008)
 

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Ab initio theoretical study of the structures of thymine glycol and dihydrothymine.

The structures of all diastereoisomers of 5,6-dihydroxy-5,6-dihydrothymine (thymine glycol) an 5,6-dihydrothymine, two important DNA lesions, have been optimized with ab initio quantum chemical methods at a 6-31 G level of calculations. The methyl group on C5 of thymine glycol shows a strong preference for a pseudo axial orientation. In contrast, in 5,6-dihydrothymine a pseudo equatorial methyl is preferred. Consequently, the thymine glycol lesion is much more bulky than 5,6-dihydrothymine. This observation may explain the different biological consequences observed for the two lesions.[1]

References

  1. Ab initio theoretical study of the structures of thymine glycol and dihydrothymine. Miaskiewicz, K., Miller, J., Osman, R. Int. J. Radiat. Biol. (1993) [Pubmed]
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