Figure 3.

Two key metrics: (A) Root Mean Square Deviation (RMSD), and (B) Radius of Gyration (Rg). These analyses were carried out on complexes formed by limonene derivatives, specifically complex_03 and complex_05, in comparison to the standard compound Acyclovir. In our visual representations, complex_03 is denoted by a pink color, complex_05 by black, and Acyclovir by green. By investigating the RMSD and Rg values, we aimed to discern any significant differences or similarities between the behavior of the limonene derivatives complexes and the standard Acyclovir throughout the duration of the molecular dynamics.