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Francesco Gentile

university of ottawa

22H-index
77Paper Count
2.6KCitation Count
Published Papers 25
Publication Date
Covalent Inhibitors of Monoacylglycerol Lipase Induce Conformational Changes and Proteasomal Degradation
err2026-05-07
err0
PREAI
errJordan A. Pham; Thanawat Thaingtamtanha; William McLeish; David Lefebvre; Spencer M. Uguccioni; Roxana Filip; Francesco Gentile; John Paul Pezacki
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A scalable reinforcement learning approach for screening large peptide libraries for bioactive peptide discovery
err2025-11-27
err0
errOAAI
errMohit Pandey; Jane Foo; Shabnam Massah; Morgan A. Alford; Hazem Mslati; Gopeshh Subbaraj; Mira Saba; Francesco Gentile; Nada Lallous; Evan F. Haney; Robert E. W. Hancock; Martin Ester; Artem Cherkasov
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Pose Ensemble Graph Neural Networks to Improve Docking Performances
err2025-09-24
err0
errOAAI
errThanawat Thaingtamtanha; Jordane Preto; Francesco Gentle
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Blood matters: the hematological signatures of Coronavirus infection
err2024-11-28
err1
errOAAI
errToro, Ayelen; Arevalo, Ana P.; Pereira-Gomez, Marianoel; Sabater, Agustina; Zizzi, Eric A.; Perbolianachis, Paula; Pascual, Gaston; Lage-Vickers, Sofia; Porfido, Jorge L.; Achinelli, Ines; Seniuk, Rocio; Bizzotto, Juan; Sanchis, Pablo; Olivera, Alvaro; Leyva, Alejandro; Moreno, Pilar; Costabile, Alicia; Fajardo, Alvaro; Carrion, Federico; Flo, Martin; Olivero-Deibe, Natalia; Rodriguez, Fernando; Nin, Nicolas; Anselmino, Nicolas; Labanca, Estefania; Vazquez, Elba; Cotignola, Javier; Alonso, Daniel F.; Valacco, Maria P.; Marti, Marcelo; Gentile, Francesco; Cherkasov, Artem; Crispo, Martina; Moratorio, Gonzalo; Gueron, Geraldine
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CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein
err2024-11-05
err4
errOAAI
errLi, Fengling; Ackloo, Suzanne; Arrowsmith, Cheryl H.; Ban, Fuqiang; Barden, Christopher J.; Beck, Hartmut; Beranek, Jan; Berenger, Francois; Bolotokova, Albina; Bret, Guillaume; Breznik, Marko; Carosati, Emanuele; Chau, Irene; Chen, Yu; Cherkasov, Artem; Della Corte, Dennis; Denzinger, Katrin; Dong, Aiping; Draga, Sorin; Dunn, Ian; Edfeldt, Kristina; Edwards, Aled; Eguida, Merveille; Eisenhuth, Paul; Friedrich, Lukas; Fuerll, Alexander; Gardiner, Spencer S.; Gentile, Francesco; Ghiabi, Pegah; Gibson, Elisa; Glavatskikh, Marta; Gorgulla, Christoph; Guenther, Judith; Gunnarsson, Anders; Gusev, Filipp; Gutkin, Evgeny; Halabelian, Levon; Harding, Rachel J.; Hillisch, Alexander; Hoffer, Laurent; Hogner, Anders; Houliston, Scott; Irwin, John J.; Isayev, Olexandr; Ivanova, Aleksandra; Jacquemard, Celien; Jarrett, Austin J.; Jensen, Jan H.; Kireev, Dmitri; Kleber, Julian; Koby, S. Benjamin; Koes, David; Kumar, Ashutosh; Kurnikova, Maria G.; Kutlushina, Alina; Lessel, Uta; Liessmann, Fabian; Liu, Sijie; Lu, Wei; Meiler, Jens; Mettu, Akhila; Minibaeva, Guzel; Moretti, Rocco; Morris, Connor J.; Narangoda, Chamali; Noonan, Theresa; Obendorf, Leon; Pach, Szymon; Pandit, Amit; Perveen, Sumera; Poda, Gennady; Polishchuk, Pavel; Puls, Kristina; Puetter, Vera; Rognan, Didier; Roskams-Edris, Dylan; Schindler, Christina; Sindt, Francois; Spiwok, Vojtech; Steinmann, Casper; Stevens, Rick L.; Talagayev, Valerij; Tingey, Damon; Vu, Oanh; Walters, W. Patrick; Wang, Xiaowen; Wang, Zhenyu; Wolber, Gerhard; Wolf, Clemens Alexander; Wortmann, Lars; Zeng, Hong; Zepeda, Carlos A.; Zhang, Kam Y. J.; Zhang, Jixian; Zheng, Shuangjia; Schapira, Matthieu
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In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations
err2024-01-01
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errOAAI
errGutkin, Evgeny; Gusev, Filipp; Gentile, Francesco; Ban, Fuqiang; Koby, S. Benjamin; Narangoda, Chamali; Isayev, Olexandr; Cherkasov, Artem; Kurnikova, Maria G.
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Keeping pace with the explosive growth of chemical libraries with structure-based virtual screening
err2023-06-20
err9
errOAAI
errKuan, Jacqueline; Radaeva, Mariia; Avenido, Adeline; Cherkasov, Artem; Gentile, Francesco
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X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation
err2022-09-03
err47
errOAAI
errLee, Jaeyong; Kenward, Calem; Worrall, Liam J.; Vuckovic, Marija; Gentile, Francesco; Ton, Anh-Tien; Ng, Myles; Cherkasov, Artem; Strynadka, Natalie C. J.; Paetzel, Mark
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The transformational role of GPU computing and deep learning in drug discovery
err2022-03-23
err102
errOAAI
errPandey, Mohit; Fernandez, Michael; Gentile, Francesco; Isayev, Olexandr; Tropsha, Alexander; Stern, Abraham C.; Cherkasov, Artem
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Modulation of ERCC1-XPF Heterodimerization Inhibition via Structural Modification of Small Molecule Inhibitor Side-Chains
err2022-03-17
err10
errOAAI
errWeilbeer, Claudia; Jay, David; Donnelly, James C.; Gentile, Francesco; Karimi-Busheri, Feridoun; Yang, Xiaoyan; Mani, Rajam S.; Yu, Yaping; Elmenoufy, Ahmed H.; Barakat, Khaled H.; Tuszynski, Jack A.; Weinfeld, Michael; West, Frederick G.
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Artificial intelligence-enabled virtual screening of ultra-large chemical libraries with deep docking
err2022-02-04
err153
errOAAI
errGentile, Francesco; Yaacoub, Jean Charle; Gleave, James; Fernandez, Michael; Ton, Anh-Tien; Ban, Fuqiang; Stern, Abraham; Cherkasov, Artem
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Comprehensive Consensus Analysis of SARS-CoV-2 Drug Repurposing Campaigns
err2021-07-27
err17
PREAI
errMslati, Hazem; Gentile, Francesco; Perez, Carl; Cherkasov, Artem
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Automated discovery of noncovalent inhibitors of SARS-CoV-2 main protease by consensus Deep Docking of 40 billion small molecules
err2021-01-01
err38
errOAAI
errGentile, Francesco; Fernandez, Michael; Ban, Fuqiang; Ton, Anh-Tien; Mslati, Hazem; Perez, Carl F.; Leblanc, Eric; Yaacoub, Jean Charle; Gleave, James; Stern, Abraham; Wong, Bill; Jean, Francois; Strynadka, Natalie; Cherkasov, Artem
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Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site
err2020-11-18
err104
errOAAI
errLee, Jaeyong; Worrall, Liam J.; Vuckovic, Marija; Rosell, Federico I.; Gentile, Francesco; Ton, Anh-Tien; Caveney, Nathanael A.; Ban, Fuqiang; Cherkasov, Artem; Paetzel, Mark; Strynadka, Natalie C. J.
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Design, synthesis and in vitro cell-free/cell-based biological evaluations of novel ERCC1-XPF inhibitors targeting DNA repair pathway
err2020-10-01
err10
PREAI
errElmenoufy, Ahmed H.; Gentile, Francesco; Jay, David; Karimi-Busheri, Feridoun; Yang, Xiaoyan; Soueidan, Olivier M.; Mani, Rajam S.; Ciniero, Gloria; Tuszynski, Jack A.; Weinfeld, Michael; West, Frederick G.
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Deep Docking: A Deep Learning Platform for Augmentation of Structure Based Drug Discovery
err2020-05-19
err201
errOAAI
errGentile, Francesco; Agrawal, Vibudh; Hsing, Michael; Ton, Anh-Tien; Ban, Fuqiang; Norinder, Ulf; Gleave, Martin E.; Cherkasov, Artem
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Computer-aided drug design of small molecule inhibitors of the ERCC1-XPF protein-protein interaction
err2020-01-20
err23
PREAI
errGentile, Francesco; Elmenoufy, Ahmed H.; Ciniero, Gloria; Jay, David; Karimi-Busheri, Feridoun; Barakat, Khaled H.; Weinfeld, Michael; West, Frederick G.; Tuszynski, Jack A.
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