Faculty profile

Francesco Gentile

ResearcherDepartment of Chemistry and Biomolecular SciencesUniversity of Ottawa

This profile is built from public research funding records (CIHR, NSERC and SSHRC) and PubMed. We have not imported them from a University of Ottawa directory, so their courses may be missing. Find their university profile.

Francesco Gentile

Researcher

Department of Chemistry and Biomolecular Sciences

University of Ottawa

Ottawa, Ontario, Canada

Supervision signals

Has led research grants, which requires an independent research appointment. Ask their department whether they supervise graduate students.
16 publications in the last five years, latest in 2026.
Senior (last) author on 4 recent papers, a sign of leading a research group.
Principal investigator on 4 research grants (4 NSERC), most recently in 2024.

These signals come from public records, including CIHR, NSERC and SSHRC funding decisions. Ask the professor or the graduate program whether they are taking new students.

Academic metrics

Publications

Collaborators

Grants

Publications by year

Counts cover the publications linked to this profile. Citations and the h-index appear when the source records them.

Profiles and links

Search on Google Scholar

Find them onX · LinkedIn · Bluesky · YouTube

Signals and details

Research

Machine learning Chemical libraries Docking Drug discovery Molecular dynamics Molecular modeling virtual screening deep learning

Latest papers

Covalent Inhibitors of Monoacylglycerol Lipase Induce Conformational Changes and Proteasomal Degradation.
Journal of the American Chemical Society · 2026
CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2.
Journal of chemical information and modeling · 2026
Identification of potent high-affinity secondary nucleation inhibitors of Aβ42 aggregation from an ultra-large chemical library using deep docking.
Molecular systems biology · 2026

All 16 publications

Latest funding

Developing an AI-enhanced ADC design platform for industrial scalability
CIHR · 2026 · Co-investigator
$100,000
Development and validation of a machine learning framework for identifying protein-protein interaction disruptors
NSERC · 2024 · Principal investigator
$94,880
Machine Learning-Augmented Virtual Screening to Identify Allosteric Ligands of the Erythromycin-Resistance Methyltransferase
NSERC · 2023 · Principal investigator
$24,000

All 5 grants and awards

16 publications.

Covalent Inhibitors of Monoacylglycerol Lipase Induce Conformational Changes and Proteasomal Degradation.

Pham JA, Thaingtamtanha T, McLeish W, Lefebvre D, Uguccioni SM, Filip R, Gentile F, Pezacki JP

Journal of the American Chemical Society2026

DOI: 10.1021/jacs.5c22859 PMID: 42095643

CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2.

Herasymenko O, Silva M, Correy GJ, Abu-Saleh AAA, Ackloo S, Arrowsmith C, Ashworth A, Ban F, Beck H, Bishop KP, Bohórquez HJ, Bolotokova A, Breznik M, Chau I, Chen Y, Cherkasov A, Dehaen W, Della Corte D, Denzinger K, Doering NP, Edfeldt K, Edwards A, Fayne D, Gentile F, Gibson E, Gokdemir O, Gunnarsson A, Günther J, Irwin JJ, Jensen JH, Harding RJ, Hillisch A, Hoffer L, Hogner A, Hutchinson A, Kandwal S, Karlova A, Koirala K, Kotelnikov S, Kozakov D, Lee J, Lee S, Lessel U, Liu S, Liu X, Loppnau P, Meiler J, Moretti R, Moroz YS, Muvva C, Oprea TI, Paige B, Pandit A, Park K, Poda G, Protopopov MV, Pütter V, Ravichandran R, Rognan D, Rosta E, Sabnis Y, Scott T, Seitova A, Sharma P, Sindt F, Song M, Steinmann C, Stevens R, Talagayev V, Tararina VV, Tarkhanova O, Tingey D, Trant JF, Treleaven D, Tropsha A, Walters P, Wells J, Westermaier Y, Wolber G, Wortmann L, Zheng S, Fraser JS, Schapira M

Journal of chemical information and modeling2026

DOI: 10.1021/acs.jcim.5c02441 PMID: 41565251

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

Brezinova M, Brotzakis ZF, Horne RI, Roy Chowdhury V, Gregory RC, Bian Y, González Díaz A, Gentile F, Vendruscolo M

Molecular systems biology2026

DOI: 10.1038/s44320-025-00159-5 PMID: 41193694

A scalable reinforcement learning approach for screening large peptide libraries for bioactive peptide discovery.

Pandey M, Foo J, Massah S, Alford MA, Mslati H, Subbaraj G, Saba M, Gentile F, Lallous N, Haney EF, Hancock REW, Ester M, Cherkasov A

Nature communications2025

DOI: 10.1038/s41467-025-66748-y PMID: 41309621

Pose ensemble graph neural networks to improve docking performances.

Thaingtamtanha T, Preto J, Gentile F

Chemical science2025Senior author

DOI: 10.1039/d4sc07875f PMID: 41030805

Inhibition of nucleotide excision repair proteins associated with cancer chemotherapy.

Gentile F, Cros-Perrial E, Jordheim LP

Biochimica et biophysica acta. Reviews on cancer2025First author

DOI: 10.1016/j.bbcan.2025.189408 PMID: 40774469

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

Ban F, Ravichandran R, Correy GJ, Herasymenko O, Silva M, Ackloo S, Bolotokova A, Chau I, Gibson E, Harding R, Hutchinson A, Loppnau P, Fraser JS, Schapira M, Cherkasov A, Gentile F

bioRxiv : the preprint server for biology2025Senior author

DOI: 10.1101/2025.09.05.674529 PMID: 40964377

On the application of artificial intelligence in virtual screening.

Thaingtamtanha T, Ravichandran R, Gentile F

Expert opinion on drug discovery2025Senior author

DOI: 10.1080/17460441.2025.2508866 PMID: 40388244

Active Learning-Guided Hit Optimization for the Leucine-Rich Repeat Kinase 2 WDR Domain Based on In Silico Ligand-Binding Affinities.

Gusev F, Gutkin E, Gentile F, Ban F, Koby SB, Li F, Chau I, Ackloo S, Arrowsmith CH, Bolotokova A, Ghiabi P, Gibson E, Halabelian L, Houliston S, Harding RJ, Hutchinson A, Loppnau P, Perveen S, Seitova A, Zeng H, Schapira M, Cherkasov A, Isayev O, Kurnikova MG

Journal of chemical information and modeling2025

DOI: 10.1021/acs.jcim.5c00588 PMID: 40415386

Integrating Biochemical and Computational Approaches Reveal Structural Insights in Trastuzumab scFv-Fc Antibody Engineering.

Bednova O, Pougoue Ketchemen J, Mslati H, Barok M, Joensuu H, Zeytuni N, Gentile F, Sanche L, Fonge H, Leyton JV

Biomolecules2025

DOI: 10.3390/biom15050606 PMID: 40427499

Something wrong or missing on this profile? Suggest a correction

Francesco Gentile

Research

Latest papers

Latest funding

Covalent Inhibitors of Monoacylglycerol Lipase Induce Conformational Changes and Proteasomal Degradation.

CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2.

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

A scalable reinforcement learning approach for screening large peptide libraries for bioactive peptide discovery.

Pose ensemble graph neural networks to improve docking performances.

Inhibition of nucleotide excision repair proteins associated with cancer chemotherapy.

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

On the application of artificial intelligence in virtual screening.

Active Learning-Guided Hit Optimization for the Leucine-Rich Repeat Kinase 2 WDR Domain Based on In Silico Ligand-Binding Affinities.

Integrating Biochemical and Computational Approaches Reveal Structural Insights in Trastuzumab scFv-Fc Antibody Engineering.

Developing an AI-enhanced ADC design platform for industrial scalability

Development and validation of a machine learning framework for identifying protein-protein interaction disruptors

Machine Learning-Augmented Virtual Screening to Identify Allosteric Ligands of the Erythromycin-Resistance Methyltransferase

Coupling Molecular Simulations and Machine Learning to Advance Large-Scale Virtual Drug Discovery

Coupling Molecular Simulations and Machine Learning to Advance Large-Scale Virtual Drug Discovery

Frequent collaborators

Artem Cherkasov

Matthieu Schapira

Aled Edwards

Michael Weinfeld

Cheryl Arrowsmith

Natalie Zeytuni

Léon Sanche

Rachel Harding

Martin Ester

Francesco Gentile

Research

Latest papers

Latest funding

Covalent Inhibitors of Monoacylglycerol Lipase Induce Conformational Changes and Proteasomal Degradation.

CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2.

Identification of potent high-affinity secondary nucleation inhibitors of A&#x3b2;42 aggregation from an ultra-large chemical library using deep docking.

A scalable reinforcement learning approach for screening large peptide libraries for bioactive peptide discovery.

Pose ensemble graph neural networks to improve docking performances.

Inhibition of nucleotide excision repair proteins associated with cancer chemotherapy.

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

On the application of artificial intelligence in virtual screening.

Active Learning-Guided Hit Optimization for the Leucine-Rich Repeat Kinase 2 WDR Domain Based on In Silico Ligand-Binding Affinities.

Integrating Biochemical and Computational Approaches Reveal Structural Insights in Trastuzumab scFv-Fc Antibody Engineering.

Developing an AI-enhanced ADC design platform for industrial scalability

Development and validation of a machine learning framework for identifying protein-protein interaction disruptors

Machine Learning-Augmented Virtual Screening to Identify Allosteric Ligands of the Erythromycin-Resistance Methyltransferase

Coupling Molecular Simulations and Machine Learning to Advance Large-Scale Virtual Drug Discovery

Coupling Molecular Simulations and Machine Learning to Advance Large-Scale Virtual Drug Discovery

Frequent collaborators

Artem Cherkasov

Matthieu Schapira

Aled Edwards

Michael Weinfeld

Cheryl Arrowsmith

Natalie Zeytuni

Léon Sanche

Rachel Harding

Martin Ester

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