Electrostatic investigation of metal cation binding to DNA bases and base pairs

Abstract

Various binding sites in DNA bases and base pairs as predicted by rigorous analysis of the molecular electrostatic potential (MESP) are explored for coordination with Li⁺ and Ca²⁺ cations; the electrostatics is generally seen to provide an explanation for the observed trends in binding upon subjecting the anticipated structures to optimization at a high level ab initio theory.

References

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