Scientist, Computational Chemistry

HTuO Biosciences Inc. is looking for a Computational Chemist to join our team. The ideal candidate will have substantial knowledge of force field design and experience in the analysis of molecular dynamics, as well as a broad understanding of the field of drug design.

Who We Are

HTuO Biosciences is a Canadian biotech company working at the interface of chemistry, physics and computer programming to accelerate drug discovery. We are a diverse group of individuals who thrive in a start-up environment and share a vision to redefine undruggable targets. We value honesty, transparency and clarity of vision.

Roles and Responsibilities

  • Design, support and deliver both internal and external computational chemistry projects
  • Apply our internal tools
  • Work with others to develop new tools and applications in support of your work
  • Test new applications of the platform
  • Work with physicists to extend our platform
  • Work with biologists to identify new applications and ways to apply our tools
  • Help develop and implement metrics for validation of molecular simulations


  • PhD in Computational Chemistry, computer-aided drug design or equivalent experience
  • Deep experience with molecular dynamics simulations and computer-aided drug design
  • Development experience in Python and/or C++
  • Substantial knowledge of molecular mechanics force field design
  • Background in ab initio quantum chemistry is a plus
  • Early-stage computational drug development experience (hit-to-lead and lead optimization) is a plus
  • Medicinal chemistry or pharmacology background is a plus


  • This position is open only to Canadian citizens or those already authorized to work in Canada.
  • We encourage diversity and will not tolerate discrimination in any form.
  • Only applicants that are selected for interviews will be contacted.
  • Additional incentives include participation in the company stock option plan, health benefits and relocation assistance.
  • HTuO currently uses a hybrid work schedule with a minimum of two days in the office per week.

How to apply:

Please send your resume and cover letter to us at

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