CCL Home Page
Up Directory CCL 22.09.29 Graduate student positions in AI for drug discovery, University of Ottawa
From: jobs at (do not send your application there!!!)
To: jobs at
Date: Thu Sep 29 16:01:57 2022
Subject: 22.09.29 Graduate student positions in AI for drug discovery, University of Ottawa
The Gentile Lab in the Department of Chemistry and Biomolecular Sciences 
at the University of Ottawa is looking for motivated graduate researchers
to join the team and work at the interface chemistry, biology, and computer    
science to address problems that are central to drug discovery.

Our newly established lab is in the STEM building at the University of Ottawa
, one of Canadas best universities. Trainees will have access to state-of-
the-art software and computational infrastructures, and will be part of a 
vibrant local community of AI researchers. Trainees will also take advantage
of our broad collaboration network with national and international leading 
groups in medicinal chemistry, biophysics, biochemistry, pharmacology, 
and bioengineering.

Our research focuses on the development and application of machine learning 
and physics-based tools to advance early-stage drug discovery. Specifically,
we are interested in i) building machine learning accelerators for virtual 
ligand screening at the billion scale ii) developing improved structure-
based methods to evaluate ligand-receptor interactions iii) identifying 
novel small molecule modulators of DNA repair in cancer. There are currently
projects available in all these three areas. Further details about our 
group can be found at


- A BSc (for MSc positions) or MSc (for PhD positions) in Chemistry, 
  Biochemistry, or related fields
- Knowledge of Python, R, or other programming languages
- Hands-on experience in molecular dynamic simulations, molecular 
  docking, or machine learning in chemistry

Key articles

1. Gentile, F. et al. Artificial intelligence enabled virtual screening 
of ultra-large chemical libraries with deep docking. Nat. Protoc. 17, 
672697 (2022)
2. Gentile, F. et al. Automated Discovery of Noncovalent Inhibitors of 
SARS-CoV-2 Main Protease by Consensus Deep Docking of 40 Billion Small 
Molecules. Chem. Sci. 12, 1596015974 (2021)
3. Gentile, F. et al. Computer-aided drug design of small molecule 
inhibitors of the ERCC1-XPF protein protein interaction. Chem. Biol. Drug
Des. 95, 460471 (2020)
Please send

- your CV 
- academic transcripts
- cover letter
- names and emails of three references willing to write supporting letters

to fgentile AT, with the subject "Gentile Lab - Graduate student
application - AI4Science". Applications will be accepted until 
November 1st, 2022. Only candidates that are shortlisted for an interview 
will be contacted.
All @ signs were changed to |*| to fight spam. Before you send e-mail, you need to change |*| to @
For example: change joe|*| to
Please let your prospective employer know that you learned about the job from the Computational Chemistry List Job Listing at If you are not interested in this particular position yourself, pass it to someone who might be -- some day they may return the favor.
Modified: Thu Sep 29 20:01:57 2022 GMT
Page accessed 1774 times since Thu Sep 29 20:20:33 2022 GMT