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. 2026 May 9;17:237. doi: 10.1186/s13287-026-05051-z

Fig. 2.

Fig. 2

Evaluation of the binding stability and interactions of the Sal-SIRT1 complex via MD simulations. A Time-dependent evolution of RMSD, Rg, SASA, hydrogen bond number, and RMSF values throughout the 100 ns production run. B, C FEL and the lowest-energy binding mode identifying key residual interactions. The simulation confirms the formation of a stable complex supported by consistent hydrogen bonding