FIGURE 5.

Comparative pre‐ and post‐MD‐simulation analyses of PRODRG‐derived topology files; (A), SARS‐CoV‐2‐Mpro‐Drug (darunavir); (B), SARS‐CoV‐2‐Mpro‐Marine‐1 (manzamine A) and (C), SARS‐CoV‐2‐Mpro‐Marine‐2 (8‐hydroxy manzamine) at 100 ns