Skip to main content
. 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 6. Mode of M090 action studied by MD simulation.

Figure 6.

(A) M090 blocks the conformational change of the HA2 monomer by enhancing the H-bond interaction between the long helix and the loop. (B) Time evolution of the number of H-bonds of each site during the MD simulation.