The effects of countercation screening on the electrostatic potential of DNA

Lavery, Richard; Pullman, Bernard

doi:10.1016/0014-5793(82)80150-6

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1983

1985

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Cited by 5 publications

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“…Two simple model screenings of the polynucleotides by conterions were explored, as in our previous calculations on electrostatic potentials (27,28). In the first model a sodium cation was placed at the bridge position of every phosphate with a distance of 2.15 A from the anionic oxygens (29).…”

Section: Introductionmentioning

confidence: 99%

Theoretical studies of the selective binding to DNA of two non-intercalating ligands: netropsin and SN 18071

1983

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A theoretical study of the binding to DNA of netropsin and a bisquaternary ammonium heterocycle, SN 18071, is undertaken with an energy minimizing program based on empirical potential functions. The positioning of the ligand is achieved by force and torque calculations and its internal flexibility is taken into account. The binding preference of both drugs studied for the AT minor groove of B-DNA is shown to depend on both the electrostatic potential generated by the base sequence and the quality of the steric fit of the ligand in the groove. Ligand-DNA hydrogen bonds are shown to aid binding, but not to be essential in establishing binding preferences.

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Section: Introductionmentioning

confidence: 99%