Unveiling potent inhibitors for schistosomiasis through ligand-based drug design, molecular docking, molecular dynamics simulations and pharmacokinetics predictions.

PLoS One · 2024 · PMC11207139 · PMID 38923997

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a decreasing trendno p-value reported

Subsequently, the RMSD showed a decreasing trend from 6.5 Å to 4 Å with slight fluctuations up to 90 ns.

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