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- W2013118664 abstract "The overlap multipole expansion procedure is ptilized for the evaluation of the electrostatic molecular potential of poly(dC·dC) and poly(dA·dT). lt is shown that the two sequences of base pairs produce different effects in the significant regions of DNA. In the inner regions of the double helix the potentials are deeper in the major groove than in the minor groove in poly(dG·dC), and the reverse is true in poly(dA·dT). At large distances from the helical axis the regions of the backbone and the minor groove are preferred. The shielding of the phosphate groups by Na+ ions is shown to have an important effect on the discrimination between the two grooves. The region of the minor groove presents always a negative potential for the sequences considered (up to the explored distance of I7 Å from the helical axis), while negative and positive values of the potentials occur, within that distance, in the region of the major groove." @default.
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- W2013118664 date "2009-06-19" @default.
- W2013118664 modified "2023-09-25" @default.
- W2013118664 title "Molecular electrostatic potential of the B-DNA helix. V. Poly(dG·dC) and poly(dA·dT)" @default.
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- W2013118664 doi "https://doi.org/10.1002/qua.560160723" @default.
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