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What is molecular docking?Molecular docking is an important method for structure-based drug design and screening by studying the interaction of ligand and receptor molecules and predicting their affinity and binding modes.Elements in molecular docking (Hernández et al., 2013)Why molecular docking?Identification of protein-protein interactions (PPIs) is of great importance for revealing important signaling pathways, studying protein functions, discovering new targets for drug action, and designing drugs targeting P... more
