Fig. 7 | Scientific Reports

Fig. 7

From: Molecular dynamics simulations based siRNA design against GPR10 reveals stable RNAi therapeutics for hormone-dependent uterine fibroids

Fig. 7

Structural dynamics of siRNAs in isolation, specifically siRNA8 (black) and siRNA12 (red). (a) Radius of gyration (Rg) profiles of siRNA8 and siRNA12 over a 100 ns molecular dynamics simulation, indicating overall compactness and structural fluctuations. (b) Root mean square deviation (RMSD) of siRNA8 and siRNA12 during the simulation period, reflecting the stability and conformational drift of each siRNA relative to their initial structures. (c) Root mean square fluctuation (RMSF) per nucleotide residue for siRNA8 and siRNA12, demonstrating residue-level flexibility differences. siRNA12 exhibits higher structural deviations and flexibility compared to siRNA8, suggesting lower conformational stability.

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