Characterizing receptor flexibility to predict mutations that lead to human adaptation of influenza hemagglutinin
H. Xu, T. Palpant, C. Weinberger, D. E. Shaw
The paper uses molecular dynamics simulations to predict mutations in influenza hemagglutinin that enhance binding to human sialic acid receptors, validated by experiments.
Journal of Chemical Theory and Computation · Aug 9, 2022Peer-reviewedBiophysics