Deep Docking: A Deep Learning Platform for Augmentation of Structure Based Drug Discovery
Francesco Gentile, Vibudh Agrawal, Michael Hsing, Anh‐Tien Ton, Fuqiang Ban, Ulf Norinder, Martin Gleave, Artem Cherkasov
Abstract
protocol can readily be used in conjunction with any docking program and was made publicly available.
Topics & Concepts
Docking (animal)Drug discoveryVirtual screeningComputer scienceChemical databaseDeep learningArtificial intelligenceTraining setComputational biologyMachine learningBioinformaticsBiologyMedicineNursingComputational Drug Discovery MethodsMachine Learning in Materials ScienceProtein Structure and Dynamics