title: Direct assessment of interresidue forces in Watson-Crick base pairs using theoretical compliance constants.
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.
authors.affiliation: Institut für Organische Chemie, Hagenring 30, Technische Universität Braunschweig, D-38106 Braunschweig, Germany. Joerg.Grunenberg@tu-bs.de
authors.forename: Jörg
authors.initials: J
authors.lastname: Grunenberg
mesh_terms: D000225:Adenine / Q000737:chemistry*; D020029:Base Pairing; D003596:Cytosine / Q000737:chemistry*; D004247:DNA / Q000737:chemistry*; D006147:Guanine / Q000737:chemistry*; D008958:Models, Molecular; D013816:Thermodynamics; D013941:Thymine / Q000737:chemistry*
chemical_list: D006147:Guanine; D003596:Cytosine; D004247:DNA; D000225:Adenine; D013941:Thymine