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. 2023 Mar 27;28(7):2989. doi: 10.3390/molecules28072989

Table 3.

Root mean square deviation and root mean square fluctuation for the top two complexes subjected to molecular dynamic simulation analysis.

Parameters Complex 1 Complex 2
RMSD of complex 2.99 Å 3.17 Å
Ligand RMSD 0.57 Å 2.62 Å
RMSF 1.27 Å 1.33 Å