Article
Role of the key mutation in the selective binding of avian and human influenza hemagglutinin to sialosides revealed by quantum-mechanical calculations.
Journal of the American Chemical Society - 1 Dec 2010
Sawada Toshihiko, Fedorov Dmitri G, Kitaura Kazuo
Abstract excerpt
The selective binding between avian and human influenza A viral hemagglutinins (HA) subtype H3 and Neu5Acα2-3 and α2-6Gal (avian α2-3, human α2-6) is qualitatively rationalized by the fragment molecular orbital (FMO) method. We suggest a general model of analyzing protein-ligand interactions base...
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