|Rapid identification of potential inhibitors of SARS‐CoV‐2 main protease by deep docking of 1.3 billion compounds|
AT Ton, F Gentile, M Hsing, F Ban, A Cherkasov
Molecular informatics 39 (8), 2000028, 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, ...
ACS central science 6 (6), 939-949, 2020
|Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site|
J Lee, LJ Worrall, M Vuckovic, FI Rosell, F Gentile, AT Ton, NA Caveney, ...
Nature communications 11 (1), 1-9, 2020
|Molecular basis of interactions between SH3 domain-containing proteins and the proline-rich region of the ubiquitin ligase Itch|
G Desrochers, L Cappadocia, M Lussier-Price, AT Ton, R Ayoubi, ...
Journal of Biological Chemistry 292 (15), 6325-6338, 2017
|A functional substitution in the L‐aromatic amino acid decarboxylase enzyme worsens somatic symptoms via a serotonergic pathway|
S Khoury, MH Piltonen, AT Ton, T Cole, A Samoshkin, SB Smith, I Belfer, ...
Annals of neurology 86 (2), 168-180, 2019
|Dual-Inhibitors of N-Myc and AURKA as Potential Therapy for Neuroendocrine Prostate Cancer|
AT Ton, K Singh, H Morin, F Ban, E Leblanc, J Lee, N Lallous, ...
International journal of molecular sciences 21 (21), 8277, 2020
|Inferring the selection window in antimicrobial resistance using deep mutational scanning data and biophysics-based fitness models|
P Dasmeh, AT Ton, C Quach, AWR Serohijos
Biorxiv, 189019, 2017
|Drugging the ‘undruggable’. therapeutic targeting of protein–DNA interactions with the use of computer-aided drug discovery methods|
M Radaeva, AT Ton, M Hsing, F Ban, A Cherkasov
Drug Discovery Today, 2021
|Automated Discovery of Noncovalent Inhibitors of SARS-CoV-2 Main Protease by Consensus Deep Docking of 40 Billion Small Molecules|
F Gentile, M Fernandez, F Ban, AT Ton, H Mslati, C Perez, E Leblanc, ...
Chemical Science, 2021
|A multiscale framework for microbial evolution to identify the emergence of antibiotic resistance|
|Multi-Scale Model of Microbial Evolution to Predict the Emergence of Drug Resistance|
AT Ton, A Serohijos, P Dasmeh
PROTEIN SCIENCE 26, 99-100, 2017