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Representative low energy conformation of Rimantadine docked with SARS-CoV-2 3CL-protease. (A) Molecular surface representation of 3CL-protease along with docked Rimantadine depicted in green sticks. The drug-interacting residues of 3CL-protease are shown in brown sticks. (B) Ligplot derived molecular interaction illustration of the complex where H bonds are represented by dotted green lines.
