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Structure-based pharmacophore modeling, high-throughput screening, and molecular dynamics identify a novel DrugBank-derived HIV-1 protease inhibitor
Khazaal Nazal AS,
Rashid Alrashedi AM,
Risan Al-Iessa LA,
Ali Rabeea MAH
(2026)
Structure-based pharmacophore modeling, high-throughput screening, and molecular dynamics identify a novel DrugBank-derived HIV-1 protease inhibitor.
PLOS ONE 21(6): e0336765.
https://doi.org/10.1371/journal.pone.0336765