Fig. 10 | Scientific Reports

Fig. 10

From: Chemical finger-printing, antioxidant activity and in silico validation of phytometabolites of Octhochloa compressa

Fig. 10

RMSD profiles of NOX (2CDU) and its complex with lignan during molecular dynamics simulations. RMSD of the unbound NOX protein at 1 ns (A) and 10 ns (B). RMSD of the 2CDU–lignan complex at 1 ns (C) and 10 ns (D). The complex exhibited minimal structural deviation (~ 0.2 nm) throughout the simulation, indicating stable binding and overall conformational equilibrium.

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