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Fig. 5 | BMC Bioinformatics

Fig. 5

From: Molecular docking analysis reveals the functional inhibitory effect of Genistein and Quercetin on TMPRSS2: SARS-COV-2 cell entry facilitator spike protein

Fig. 5

Molecular Dynamic simulation results—A Protein backbone RMSD plot of TMPRSS-2 (saffron), Quercetin complex (blue) and Genistein complex (green); B The total number of hydrogen bonds of Quercetin complex; C Ligand RMSD plot of Quercetin complex; D Quercetin complex showing the two different ligand conformation ensemble, ensemble-1 (red, t = 23–32 ns), ensemble-2 (green, t = 33–50 ns)

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