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Fig. 7. Representation of MD simulation trajectory RMSD plot of the protein bound to the ligands. The RMSD of RdRp with Fidaxomicin complex (black) and RdRp with Rifabutin complex (red) were obtained during 100,000 ps simulation.

Journal: Journal of infection and public health

Article Title: Repurposing of potential antiviral drugs against RNA-dependent RNA polymerase of SARS-CoV-2 by computational approach.

doi: 10.1016/j.jiph.2022.09.007

Figure Lengend Snippet: Fig. 7. Representation of MD simulation trajectory RMSD plot of the protein bound to the ligands. The RMSD of RdRp with Fidaxomicin complex (black) and RdRp with Rifabutin complex (red) were obtained during 100,000 ps simulation.

Article Snippet: The RMSD value of the superimposed structures of the docked RdRp-Remdesivir complex with the available RdRp-Remdesivir complex obtained from PDB (7L1F) was calculated to be 1.957 Å, which verified the reliability of our docking results.

Techniques: