Interaction energy analysis on specific binding of influenza virus hemagglutinin to avian and human sialosaccharide receptors: Importance of mutation-induced structural change
Binding specificity of influenza hemagglutinin to avian or human receptor was analyzed. Intermolecular interactions were evaluated on the basis of fragment molecular orbital method. Molecular mechanisms of avian-to-human infectious transmission were investigated. Alterations of intermolecular interactions were caused by mutations in hemagglutinins. Mutation-induced structural changes in hemagglutinin-receptor complexes play an important role.
influenza mutation hemagglutinin (ha) receptor binding fragment molecular orbital (fmo) method