Extended Data Fig. 10: Protein-ligand interaction network analysis of the last 10 ns of the free simulation during the equilibration phase for pose 6-3.
From: Structural insights into tecovirimat antiviral activity and poxvirus resistance
a) Tanimoto similarity matrix representing ligand-protein interactions across each frame of the MD trajectory. Values range from 0 to 1, where 1 indicates the highest similarity and 0 indicates the lowest. b) Barcode plot of interactions. Each horizontal line represents the presence of the corresponding interaction at a specific frame of the MD trajectory.
