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Cras dapibus. Vivamus elementum semper nisi. Aenean vulputate eleifend tellus. Aenean leo ligula, porttitor eu, consequat vitae, eleifend ac, enim. Aliquam lorem ante, dapibus in, viverra quis, feugiat a, tellus. Phasellus viverra nulla ut metus varius laoreet. Quisque rutrum. Aenean imperdiet. Etiam ultricies nisi vel augue. Curabitur ullamcorper ultricies nisi. Nam eget dui.

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Publications

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

Nature Protocols 17 (3), 672-697, 2022

F. Gentile, JC. Yaacoub, J. Gleave, M. Fernandez, AT. Ton, F. Ban, A. Stern, A. Cherkasov

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The transformational role of GPU computing and deep learning in drug discovery

Nature Machine Intelligence 4 (3), 211-221, 2022

M. Pandey, M. Fernandez, F. Gentile, O. Isayev, A. Tropsha, AC. Stern, A. Cherkasov

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Deep Docking: A Deep Learning Platform for Augmentation of Structure Based Drug Discovery

ACS Central Science 6 (6), 939-949, 2020

F. Gentile, V. Agrawal, M. Hsing, AT. Ton, F. Ban, U. Norinder, ME. Gleave, A. Cherkasov

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