RESEARCH AND PUBLICATIONS
Chemical Science, Volume 17, Issue 27, Pages 13677-13690
Deep docking, part 2: an amplified DDU platform for ultra-large virtual screening
Mohit Pandey, Tanvir Sajed, Ivan Semenov, Renfei Zhang, Fuqiang Ban, Ekaterina Manskaia, Martin Ester, Artem Cherkasov
ACS Central Science 6 (6), 939-949, 2020
Deep Docking: A Deep Learning Platform for Augmentation of Structure-Based Drug Discovery
F Gentile, V Agrawal, M Hsing, AT Ton, F Ban, U Norinder, ME Gleave, A Cherkasov
Nature Machine Intelligence 4 (3), 211-221, 2022
The transformational role of GPU computing and deep learning in drug discovery
M Pandey, M Fernandez, F Gentile, O Isayev, A Tropsha, AC Stern, A. Cherkasov
Nature Protocols 17 (3), 672-697, 2022
Artificial intelligence–enabled virtual screening of ultra-large chemical libraries with deep docking
F Gentile, JC Yaacoub, J Gleave, M Fernandez, AT Ton, F Ban, A Stern, A. Cherkasov
Nature Reviews Drug Discovery 23 (2), 141-155, 2024
Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR
A Tropsha, O Isayev, A Varnek, G Schneider, A Cherkasov
Drug Discovery Today, 104341, 2025
The Six Ds of Exponentials and drug discovery: A path toward reversing Eroom’s law
A Tropsha, HJ Martin, A Cherkasov
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