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Communication | Special issue | Vol 52, No. 3, 2000, pp.1047-1056
Published online, 1st January, 1970
DOI: 10.3987/COM-99-S127
An ab initio Study on the Hydrogen Bond Energies of Nucleic Acid Basepairs: Adenine-Uracil Watson-Crick and Guanine-Uracil Wobble Basepairs

Shun-ichi Kawahara and Tadafumi Uchimaru*

*Department of Physical Chemistry, National Institute of Materials and Chemical Research, Agency of Industrial Science and Technology, MITI, Tsukuba Science City 305-8565, Japan

Abstract

The hydrogen bond energies of adenine-uracil Watson-Crick and guanine-uracil wobble basepairs were evaluated using molecular orbital theory. The hydrogen bond energies were found to be almost the same for these two systems, thus uracil can distinguish adenine (A) and guanine (G) only when in combination with the backbone of a nucleotide duplex.