Machine-learning methods for ligand–protein molecular docking
Kévin Crampon, Alexis Giorkallos, Myrtille Deldossi, Stéphanie Baud, Luiz Angelo Steffenel
Topics & Concepts
Drug discoveryProtein–ligand dockingDocking (animal)Artificial intelligenceComputer scienceComputational biologyVirtual screeningDeep learningMachine learningBioinformaticsBiologyMedicineNursingComputational Drug Discovery MethodsMachine Learning in Materials ScienceProtein Structure and Dynamics