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Senior Scientist (Computational Chemistry)

Jnana Therapeutics is a biotechnology company focused on modulating cellular metabolism by opening the solute carrier (SLC) family of metabolite transporters as a target class to develop transformational therapeutics. Jnana uses RAPID, its proprietary, cell-based drug discovery platform to systematically target SLC transporters and develop best-in-class therapies to treat a wide range of diseases, including immune-mediated, neurological and metabolite-dependent diseases. Headquartered in Boston, Jnana is founded by world-renowned scientists and backed by leading life science investors. For more information, please visit and follow us on Twitter and on LinkedIn.


Jnana Therapeutics is seeking an enthusiastic and highly motivated computational chemist to support our internal chemistry group focused on SLC drug discovery programs. Through small molecule screening using our novel and proprietary RAPID platform, and a range of cell-based assays, our research aims to expand our understanding of SLC transporter biology and ultimately discover drugs modulating these proteins. Prior drug discovery, program experience necessary. Strong commitment and good work ethic are essential. Level can be flexible based on experience.


  • Provide informatics and modeling support for project teams
  • Generate workflows to perform hit expansion and scaffold hopping from lead series
  • Champion emerging opportunities in ligand-based (pharmacophore modeling, shape-based expansion) and structure-based design (homology modeling, virtual screening).


Required skills:

  • Proficiency in a programming or scripting language (e.g., Python, R, Perl)
  • Ability to perform complex data integration, analysis, and visualization to drive project team decisions
  • Experience in machine learning and multi-parameter optimization
  • Experience with cheminformatics analyses such as nearest neighbor searches, R-Group deconvolution, screening informatics
  • Deep experience in at least one of the following areas: structure-based virtual screening, pharmacophore modeling, homology modeling

Additional/Preferred skills:

  • Experience with molecular modeling workflows such as conformational analysis, docking, and binding site assessment.
  • Experience building interactive visualization dashboards (eg., Spotfire, Shiny web apps)
  • Experience with visual and dataflow programming (e.g., Pipeline Pilot, Knime)
  • Industrial, hands-on experience with cheminformatics and/or computational chemistry
  • This position requires a PhD in cheminformatics, computational chemistry, computer and information sciences, or related field, or PhD in Biology, Chemistry, or Chemical Biology with Postdoc or industry experience.
  • The successful candidate must be highly organized, detailed-oriented with excellent communication skills.


To apply, please email or fill out the form directly through our website.


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