Characterization of the Monovalent Ion Position and Hydrogen-Bond Network in Guanine Quartets by DFT Calculations of NMR Parameters

Conformational stability of G‐quartets found in telomeric DNA quadruplex structures requires the coordination of monovalent ions. Here, an extensive Hartree–Fock and density functional theory analysis of the energetically favored position of Li+, Na+, and K+ ions is presented. The calculations show...

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Veröffentlicht in:	Chemistry : a European journal 2005-10, Vol.11 (20), p.6064-6079
Hauptverfasser:	van Mourik, Tanja, Dingley, Andrew J.
Format:	Artikel
Sprache:	eng
Schlagworte:	density functional calculations DNA structures Guanine - chemistry Hydrogen Bonding hydrogen bonds Magnetic Resonance Spectroscopy - methods Models, Molecular monovalent ions NMR spectroscopy Potassium - chemistry
Online-Zugang:	Volltext
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