Assistant Professor, Department of Chemistry and Biomolecular Sciences, University of Ottawa
Glad to share our chapter: "Development of Optimal Virtual Screening Strategies to Identify Novel Toll-Like Receptor Ligands Using the DockBox Suite" published in Toll-Like Receptors: Methods and Protocols book, co-authored with Jordane Preto.
Assistant Professor, Department of Chemistry and Biomolecular Sciences, University of Ottawa
Happy to share our review on new approaches for structure-based virtual screening of ultra-large chemical libraries, with Artem Cherkasov and team! https://lnkd.in/gRsdYgRM
Assistant Professor, Department of Chemistry and Biomolecular Sciences, University of Ottawa
I'm happy to share our latest publication in Chemical Society Reviews, together with Tudor Oprea, Alexander Tropsha and Artem Cherkasov. In this Viewpoint, we reflect on the use of molecular docking in drug discovery, and we stress the importance of following best practices of CADD in order to provide valuable starting points for developing drug candidates. #drugdiscovery https://lnkd.in/g9EYt3tb
Francesco Gentile reposted this
Principal Investigator and Associate Director at Istituto Italiano di Tecnologia Co-Founder of IAMA Therapeutics
ONE POSTDOC IN MED CHEM - Join my group to make compounds for drug discovery. In the group, med and comp chem are fully integrated and synergize to identify and optimize small molecules - come join us at @IITalk @AIRC_it Apply or RT pls! https://lnkd.in/dXVR8DCv
Assistant Professor, Department of Chemistry and Biomolecular Sciences, University of Ottawa
I’m happy to share that I’m starting a new position as Assistant Professor at University of Ottawa!
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Assistant Professor, Department of Chemistry and Biomolecular Sciences, University of Ottawa
Glad to share that I will join University of Ottawa Department of Chemistry and Biomolecular Sciences as Assistant Professor starting August 1st. I'm very grateful to all my mentors and colleagues during these years and I am looking forward to this new adventure!
Assistant Professor, Department of Chemistry and Biomolecular Sciences, University of Ottawa
Our review of the role of GPUs and Deep Learning in modern and future drug discovery is finally out in Nature Machine Intelligence. Check it out!
Machine Learning Research for Drug Discovery, Senior Editor Health Science Inquiry 2022
Our recent exploration of GPUs and Deep Learning in various aspects of Drug Discovery is now published in Nature Machine Intelligence. We hope that this piece provides an insightful perspective on the critical contributions of GPUs and deep learning in reforming modern-day drug discovery and the road ahead for research in this direction. We thank our collaborators from NVIDIA, University of North Carolina at Chapel Hill, Carnegie Mellon University Vancouver Prostate Centre, and The University of British Columbia for their efforts. https://lnkd.in/gbEdPZSQ #drugdiscovery #deeplearning #gpu
Assistant Professor, Department of Chemistry and Biomolecular Sciences, University of Ottawa
Our open-source protocol for Deep Docking was recently published in Nature Protocols. We hope this automated tool will allow any research group to virtually screen ultra-large libraries of billions of compounds against their target of interest, and accelerate their drug discovery pipelines. https://lnkd.in/gqm-qwCU #research #drugdiscovery #deeplearning
Assistant Professor, Department of Chemistry and Biomolecular Sciences, University of Ottawa
Glad to see our study on #deeplearning-based accelerated virtual screening against the active site of SARS-CoV-2 main protease (Mpro) published in Chemical Science. Thanks to our Deep Docking method, we identified novel scaffolds for Mpro inhibition by evaluating 40 billion commercially available molecules in a fraction of the time required for conventional screenings.
Assistant Professor at the Centre for Biomedical Engineering, IIT Delhi and at the Department of Biomedical Engineering, AIIMS New Delhi
1yCongratulations, Francesco!