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Article

Single Amino Acid Mutation Controls Hole Transfer Dynamics in DNA-Methyltransferase HhaI Complexes.

The journal of physical chemistry letters - 17 Sept 2015

Corbella Marina, Voityuk Alexander A, Curutchet Carles

Abstract excerpt

Different mutagenic effects are generated by DNA oxidation that implies the formation of radical cation states (so-called holes) on purine nucleobases. The interaction of DNA with proteins may protect DNA from oxidative damage owing to hole transfer (HT) from the stack to aromatic amino acids. However, how protein binding affects HT dynamics in DNA is still poorly understood. Here, we report a computational study...

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PMID: 26722751
DOI: 10.1021/acs.jpclett.5b01683

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