Title: Unnatural covalent DNA base pairing: Quantum chemical study
Authors: Kryachko, ES ×
Nguyen, Minh Tho #
Issue Date: 2002
Series Title: Journal of Physical Chemistry A vol:106 issue:40 pages:9319-9324
Conference: date:Univ Louvain, Dept Chem, B-3001 Louvain, Belgium
Abstract: The present work is aimed to perform a high-level ab initio computational study of the unnatural covalent bond base pairs, recently designed by Gao and Orgel (Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 14837) and Kishi et al. (Angew. Chem., Int. Ed. Engl. 1999, 38, 928; Angew. Chem., Int. Ed. Engl. 2001, 40, 147 1), for a better understanding of the underlying structural and energetic features of their base pair formations and for a demonstrating of how they actually accommodate the DNA double helix architecture. In addition, three new tautomeric forms of the Gao-Orgel covalent pair are found and their shape complementarity is analyzed.
ISSN: 1089-5639
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Quantum Chemistry and Physical Chemistry Section
× corresponding author
# (joint) last author

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