Figure 4 | Scientific Reports

Figure 4

From: Molecular Dynamics Simulation reveals the mechanism by which the Influenza Cap-dependent Endonuclease acquires resistance against Baloxavir marboxil

Figure 4

Pharmacophore feature of BXA for binding to CEN as estimated by MD simulation. Red feature: Hydrogen bond acceptor (lone pair), Blue feature: Hydrogen bond donor, Orange feature: Aromatic ring, (A) The BXA binding site in CEN with important residues represented as sticks, BXA and pharmacophore feature. (B) The pharmacophore feature of BXA is displayed.

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