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. 2022 Jan 9;26(5):2613–2629. doi: 10.1007/s11030-021-10358-5

Fig. 3.

Fig. 3

Binding interaction plot of MonoProt-I protonated state of HCQ with a RdRp, b protease, and c spike proteins of SARS-CoV2, d structural variation of RdRp:HCQ complex during 100-ns simulation. RMSD of all-atom and backbone atoms for the protein (blue and orange), RMSD of HCQ when protein is taken for alignment (green line) and when ligand (HCQ) is taken as a reference molecule for alignment (red lines)