Francesco Gentile

15PUBLICATIONS
22CO-AUTHORS
GlycoconjugatesBiomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsBioinformatic methods developmentPredictive and prognostic markers
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Publications (15)

|May 07, 2026
Covalent Inhibitors of Monoacylglycerol Lipase Induce Conformational Changes and Proteasomal Degradation.

|Nov 27, 2025
A scalable reinforcement learning approach for screening large peptide libraries for bioactive peptide discovery.

Mohit Pandey, Jane Foo, Shabnam Massah

|Nov 05, 2025
Identification of potent high-affinity secondary nucleation inhibitors of Aβ42 aggregation from an ultra-large chemical library using deep docking.

Michaela Brezinova, Z Faidon Brotzakis, Robert I Horne

|Oct 01, 2025
Pose ensemble graph neural networks to improve docking performances.

Thanawat Thaingtamtanha, Jordane Preto, Francesco Gentile

|Sep 18, 2025
Structure-based discovery of inhibitors of Mac1 domain of nonstructural protein-3 of SARS-CoV-2 by machine learning-augmented screening of chemical space.

Fuqiang Ban, Rahul Ravichandran, Galen J Correy

|Jun 14, 2024
In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations.

Evgeny Gutkin, Filipp Gusev, Francesco Gentile

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Frequent Collaborators

5 joint publications

Artem Cherkasov

2 joint publications

Jack Tuszynski

2 joint publications

Anh-Tien Ton

1 joint publications

Marco A Deriu