Figure 5
From: Inhibition of SARS-CoV-2 3CL protease by the anti-viral chimeric protein RetroMAD1
Analysis of interaction via hydrogen bonding counts and radius of gyration. (A) The hydrogen bonding is categorized as follows: intrinsic molecular hydrogen bonds are denoted in blue, bonds formed with the adjacent 3CLpro are in green, and those engaged with the aqueous environment are represented in red. Cumulative hydrogen bonds is depicted in gray. (B) The radius of gyration of RetroMAD1-3CLpro complex corresponds to 100 ns molecular dynamics simulation at 298 K.
