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HCQ molecule preparation and docking: a pKa values for all ionizable groups of HCQ predicted using ChemAxon integrated tool with MarvinSketch; b protonated states formed under physiological conditions (pH 7.4) are shown as MonoProt-I, MonoProt-II, and DiProt; c box plot for binding energy scores of RdRp, protease, and spike proteins with MonoProt-I, MonoProt-II, and DipProt states of HCQ. The negative sign of binding energy scores is ignored for better readability
