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Applied Biological Chemistry
Fig. 3 | Applied Biological Chemistry

Fig. 3

From: Screening marine algae metabolites as high-affinity inhibitors of SARS-CoV-2 main protease (3CLpro): an in silico analysis to identify novel drug candidates to combat COVID-19 pandemic

Fig. 3

Interaction between 3CLpro and callophysin A during the simulation. a Amino acid residues of 3CLpro making different kinds of interaction with callophysin A, b Upper panel: variation in the number of contacts between 3CLpro and callophysin A during the simulation. Lower panel: participation of different amino acid residues in making contacts with callophysin A as a function of simulation, and c Percentage of simulation time for which some significant amino acid residues participate in the interaction with callophysin A

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