Browsing College of Pharmacy by Subject "quantumpolarized ligand docking"
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Network pharmacology, molecular simulation, and binding free energy calculation-based investigation of Neosetophomone B revealed key targets for the treatment of cancer
( Frontiers Media SA , 2024 , Article)In the current study, Neosetophomone B (NSP-B) was investigated for its anti-cancerous potential using network pharmacology, quantum polarized ligand docking, molecular simulation, and binding free energy calculation. Using ...