Conformational dynamics and binding free energy analyses unveil a stable flavonoid inhibitor of dengue virus NS5 polymerase.

Sci Rep · 2026 · PMC12949254 · PMID 41654575

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a clear trendno p-value reported

Comparative MD metrics across these studies emphasize a clear trend: compounds with sustained low RMSD and RMSF, stable Rg, and minimal solvent exposure tend to yield more favourable binding free energies.

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