Artificial intelligence-enabled virtual screening of ultra-large chemical libraries with deep docking

enthalten in: Nature protocols | 2022

von Gentile, F. | Yaacoub, J. | Gleave, J. | +5

DD-GUI : a graphical user interface for deep learning-accelerated virtual screening of large chemical libraries (Deep Docking)

enthalten in: Bioinformatics (Oxford, England) | 2022

von Yaacoub, J. | Gleave, J. | Gentile, F. | +2

Automated discovery of noncovalent inhibitors of SARS-CoV-2 main protease by consensus Deep Docking of 40 billion small molecules

enthalten in: Chemical science | 2021

von Gentile, F. | Fernandez, M. | Ban, F. | +11