Theoretical study on structure, stability, and electronic properties of the guanine-Zn-cytosine base pair in M-DNA

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Authors

FUENTES-CABRERA Miguel SUMPTER Bobby SPONER Judit SPONER Jiri PETIT Leon WELLS Jack

Year of publication 2007
Type Article in Periodical
Magazine / Source JOURNAL OF PHYSICAL CHEMISTRY B
MU Faculty or unit

Faculty of Science

Citation
Field Biophysics
Keywords molecular dynamics methods; RNA
Description M-DNA is a type of metalated DNA that forms at high pH and in the presence of Zn, Ni, and Co, with the metals placed in between each base pair, as in G-Zn-C. Experiments have found that M-DNA could be a promising candidate for a variety of nanotechnological applications, as it is speculated that the metal d-states enhance the conductivity, but controversy still clouds these findings. In this paper, we carry out a comprehensive ab initio study of eight G-Zn-C models in the gas phase to help discern the structure and electronic properties of Zn-DNA.
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