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

1 January 1998

journal article
research article
Published by Royal Society of Chemistry (RSC) in Chemical Communications

No. 5,p. 573-574
https://doi.org/10.1039/a708372f

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.

Keywords

OPTIMIZATION
CATIONS
STRUCTURES
BINDING
ELECTROSTATIC
COORDINATION
INITIO
EXPLANATION

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