Effects of Hydrogen-Bonding and Stacking Interactions with Amino Acids on the Acidity of Uracil

The effects of hydrogen-bonding interactions with amino acids on the (N1) acidity of uracil are evaluated using (B3LYP) density functional theory. Many different binding arrangements of each amino acid to three uracil binding sites are considered. The effects on the uracil acidity are found to signi...

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Veröffentlicht in:The journal of physical chemistry. B 2007-02, Vol.111 (7), p.1858-1871
Hauptverfasser: Hunter, Ken C, Millen, Andrea L, Wetmore, Stacey D
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Sprache:eng
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