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. Author manuscript; available in PMC: 2019 May 2.
Published in final edited form as: J Med Chem. 2018 Jun 11;61(12):5187–5198. doi: 10.1021/acs.jmedchem.8b00042

Figure 5. Predicted M090-HA2 structure.

Figure 5.

(A) Adjacent to HA2-74, M090 fits well in the pocket between a long α-helical segment and a loop of the HA2 monomer. (B) Binding mode of M090 with protein. (C) Time evolution of the RMSD values of M090 and HA protein during the MD simulation.