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The use of AlphaFold2-enabled molecular docking simulations to predict protein-ligand interactions for antibiotic drug discovery

In a recent study published in Molecular Systems Biology, researchers demonstrated that advances in modeling protein-ligand interactions using machine learning-based approaches are needed to exploit AlphaFold2 for antibiotic discovery better. Study: Benchmarking AlphaFold-enabled molecular docking predictions for antibiotic discovery. Image…