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Applied Biological Chemistry
Fig. 2 | Applied Biological Chemistry

Fig. 2

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. 2

MD (Molecular dynamics) simulation of 3CLpro-callophysin A complex. a RMSD (Root mean square deviation) of 3CLpro alone (teal color) and in the presence of callophysin A (brown color), b RMSF (root mean square fluctuation) of 3CLpro in the presence of callophysin A (teal color), as compared with B-factor, which is determined during X-ray crystallography (brown color). Vertical green lines represent the location of amino acid residue forming an interaction with callophysin A. Light brown, and teal color bars represent the regions of α-helices and β-sheets

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