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The molecular electrostatic potential of the B-DNA helix

III. The potential due to the sugar-phosphate backbone

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Abstract

The overlap multipole expansion procedure is utilized for the evaluation of the component of the electrostatic molecular potential of the B-DNA helix due to its sugar-phosphate backbone. The overall shape of the potential, its extension in space, the location of the minima and the differences in the values of the potential in particularly significant regions (minor and major grooves, vicinity of the phosphates) are indicated. The isopotential surfaces are practically cylindrical at distances larger than 15 Å from the helix axis but exhibit a more complex structure at shorter distances.

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Authors and Affiliations

  1. Institut de Biologie Physico-Chimique, Laboratoire de Biochimie Théorique associé au C.N.R.S., 13, rue P. et M. Curie, F-75005, Paris, France

    David Perahia, Alberte Pullman & Bernard Pullman

Authors
  1. David Perahia
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  2. Alberte Pullman
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  3. Bernard Pullman
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Additional information

This paper is dedicated to Professor H. Hartmann on the occasion of his 65th birthday.

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Perahia, D., Pullman, A. & Pullman, B. The molecular electrostatic potential of the B-DNA helix. Theoret. Chim. Acta 51, 349–357 (1979). https://doi.org/10.1007/BF00548943

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  • DOI: https://doi.org/10.1007/BF00548943

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