Is It Feasible to Use AI-based Drug Design Methods in the Process of Generating Effective COVID-19 Inhibitors? A Validation Study Using Molecular Docking, Molecular Simulation, and Pharmacophore Methods
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS(2024)
关键词
COVID-19,SARS-CoV-2 Mpro,reinforcement learning,molecular docking,molecular dynamics simulation
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