Direct Assessment of Interresidue Forces in Watson−Crick Base Pairs Using Theoretical Compliance Constants
Journal of the American Chemical Society2004Vol. 126(50), pp. 16310–16311
Citations Over TimeTop 11% of 2004 papers
Abstract
This communication presents quantum mechanical calculations of interresidue potential constants for the Watson-Crick base pairs adenine-thymine (AT) and guanine-cytosine (GC), permitting a unique quantification of hydrogen bond strengths. Due to the calculated compliance constants, large differences between individual H bonds were found, while a repulsive character of the C-H...O bond in AT can be excluded.
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