Machine-learning methods for ligand–protein molecular docking
Résumé
Artificial intelligence (AI) is often presented as a new Industrial Revolution. Many domains use AI, including molecular simulation for drug discovery. In this review, we provide an overview of ligand–protein molecular docking and how machine learning (ML), especially deep learning (DL), a subset of ML, is transforming the field by tackling the associated challenges.
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ML_methods_ligand_protein_docking_DrugDiscoveryToday_2021.pdf (418.78 Ko)
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