The radius of gyration (Rg) and solvent-accessible surface area (SASA) remained generally consistent throughout the simulations ( Figure 6 J,K), with a decreasing trend observed after 10 ns, confirming that dauricine binding maintained the compact folding state of the proteins and stability of the solvent environment.
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Dauricine Mitigates Hypoxia Through Targeting ESR1, PIK3CA, and MTOR: A Network Pharmacology and Molecular Dynamics Simulation Investigation
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