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Rational Design of Novel Isosteviol-Derived Factor Xa Inhibitors Using Integrated QSAR, Molecular Docking, Molecular Dynamics, and MM/GBSA Analyses. [PDF]
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A Comprehensive Study of a New Norfloxacin-Niflumate Hydrate: Structural and Physicochemical Properties, Antibiotic Potency, Anti-Inflammatory Effect, and Drug Safety. [PDF]
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Interpretable QSAR, External PubChem Validation, and Coordination-Aware Docking Enable Tiered Prioritization of Carbonic Anhydrase I Inhibitors. [PDF]
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In silico pipeline for GSK 3β inhibitor discovery in Alzheimer's disease using pharmacophore screening, docking, ADME filtering, and MD validation. [PDF]
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Antibacterial Activity of α-Sulfamidophosphonate Derivatives and Their In Silico Assessment as Dihydropteroate Synthase Binders. [PDF]
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