Issue 1, 2003
From the journal:

PhysChemComm

Guanine tetrads interacting with metal ions. An AIM topological analysis of the electronic density†

Guillaume Louit,a   Alexandre Hocquet,*a   Mahmoud Ghomi,a   Michael Meyerb  and  Jürgen Sühnelc  

* Corresponding authors

a LPBC, UMR CNRS 7033, case courrier 138, 4 Place Jussieu, Paris Cedex 05, France
E-mail: hocquet@lpbc.jussieu.fr

b Revotar Biopharmaceuticals AG, Neuendorfstr. 24b, Hennigsdorf, Germany
E-mail: m.meyer@revotar-ag.de

c Biocomputing Group, Institute of Molecular Biotechnology, Jena Centre for Bioinformatics, Beutenbergstr. 11, Jena, Germany
E-mail: jsuehnel@imb-jena.de

Abstract

The interaction of guanine tetrads with various alkaline, alkaline earth and transition metal ions has been studied by means of an AIM topological analysis of the electronic density based on density functional calculations. The interaction between metal ion and ligand has been characterized in terms of the Laplacian of the electronic density, the Hamiltonian kinetic energy density and the Lagrangian kinetic energy density. The influence of the metal ion–ligand interaction on tetrad hydrogen bonding is also discussed.

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Article information

DOI
https://doi.org/10.1039/B210911E
Article type
Paper
Submitted
06 Nov 2002
Accepted
08 Jan 2003
First published
15 Jan 2003

PhysChemComm, 2003,6, 1-5

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Guanine tetrads interacting with metal ions. An AIM topological analysis of the electronic density

G. Louit, A. Hocquet, M. Ghomi, M. Meyer and J. Sühnel, PhysChemComm, 2003, 6, 1 DOI: 10.1039/B210911E

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