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

Shridhar R. Gadre, Savita S. Pundlik, Ajay C. Limaye, Alistair Rendell

Research output: Contribution to journalArticle

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.
Original languageEnglish
Pages (from-to)573-574
JournalChemical Communications
DOIs
Publication statusPublished - 1998
Externally publishedYes

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