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

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

doi:10.1039/A708372F

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 journal › Article › peer-review

22 Citations (Scopus)

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 language	English
Pages (from-to)	573-574
Journal	Chemical Communications
DOIs	https://doi.org/10.1039/A708372F
Publication status	Published - 1998
Externally published	Yes

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title = "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.",

author = "Gadre, {Shridhar R.} and Pundlik, {Savita S.} and Limaye, {Ajay C.} and Alistair Rendell",

year = "1998",

doi = "10.1039/A708372F",

language = "English",

pages = "573--574",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "ChemComm Communication",

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T1 - Electrostatic investigation of metal cation binding to DNA bases and base pairs

AU - Gadre, Shridhar R.

AU - Pundlik, Savita S.

AU - Limaye, Ajay C.

AU - Rendell, Alistair

PY - 1998

Y1 - 1998

N2 - 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.

AB - 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.

U2 - 10.1039/A708372F

DO - 10.1039/A708372F

M3 - Article

SN - 1359-7345

SP - 573

EP - 574

JO - Chemical Communications

JF - Chemical Communications

ER -

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

Abstract

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