Francesco Gentile

Assistant Professor

University of Ottawa

Canada

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Francesco Gentile is an Assistant Professor at the University of Ottawa, Canada. His research focuses on the application of deep learning and virtual screening in drug discovery, particularly in enhancing docking performances and chemical library screening. He has contributed to significant advancements in understanding and targeting viral proteins, including SARS-CoV-2, through innovative computational methods.

Articles (12)

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2025

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2024

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2023

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2023

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2022

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2022

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2022

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2022

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2022

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2021

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2021

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2021

Collaborators (5)

Mohit Pandey

The University of British Columbia

CANADA

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François Jean

The University of British Columbia

CANADA

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Maria Kurnikova

Professor

Carnegie Mellon University

UNITED STATES

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Mark Paetzel

Professor

Simon Fraser University

CANADA

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Olexandr Isayev

Assistant Professor

Carnegie Mellon University

UNITED STATES

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Francesco Gentile

Research Interests

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Articles (12)

Pose ensemble graph neural networks to improve docking performances

In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations

Keeping pace with the explosive growth of chemical libraries with structure‐based virtual screening

Surely you are joking, Mr Docking!

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

X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation

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

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

Modulation of ERCC1-XPF Heterodimerization Inhibition via Structural Modification of Small Molecule Inhibitor Side-Chains

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

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

Comprehensive Consensus Analysis of SARS-CoV-2 Drug Repurposing Campaigns

Collaborators (5)

Mohit Pandey

François Jean

Maria Kurnikova

Mark Paetzel

Olexandr Isayev

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