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. 2021 May 25:1–30. doi: 10.1080/07391102.2021.1913228

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Figure 11. — The RMSF fluctuations is shown for the whole complex (blue) and for the active site residues (orange). The RMSF fluctuations with respect to the residue number of the protein-ligand complexes considered for the study is shown in Figure Y. Except 58RO complex, we observed that the active site residues and the ligand displayed stable RMSF fluctuations. Due to random coil structural elements present in the complexes, which is known to display huge structural fluctuations, we noticed high RMSF fluctuations in these regions. Overall, the stable RMSF profile suggests that the protein-ligand complexes are stable during the course of simulations.