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. 2024 Jun 4;19(6):e0304490. doi: 10.1371/journal.pone.0304490

Fig 5. The root means square fluctuation (RMSF) of all the simulation complexes over a 100-nanosecond simulation.

Fig 5

(A) Root Mean Square Fluctuation (RMSF) of Complex_1, (B) RMSF of Complex_3, and (C) RMSF of Complex_6. The interpretation of the results is justified. Several significant fluctuations. The fluctuation primarily arises when the ligand interacts with the protein residues. Complex_1 exhibits three significant fluctuations on the green vertical bar, which signify the contact between the ligand molecule and the protein. Complex_3 and Complex_6 exhibit significant temporal fluctuations. The overall comparison reveals significant fluctuations, although they do not exceed 4.8 AÅ.