Senior Investigator - Computational Chemistry

Location: Cambridge, MA


Kronos Bio seeks a creative and highly motivated Computational Chemist to join our research & development team located in Cambridge, MA. The ideal candidate will be an experienced drug discovery scientist with a track record of applying computational chemistry and cheminformatics methods to problems at all stages of the drug discovery process. Additionally, the successful candidate will have strong communication skills and an understanding of basic medicinal chemistry. Candidates who are enthusiastic team players and have a passion for playing a key role in the discovery and development of life-saving medicines are encouraged to apply.


  • Collaboration with Medicinal Chemists and Structural Biologists to drive drug discovery programs at all stages from early target validation, hit-finding, lead optimization, and candidate delivery.
  • The design and optimization of novel drug candidates using advanced computational techniques such as protein modeling, molecular docking based on x-ray or homology models, ligand based design, library design, diversity analysis, conformational analysis and pharmacophore modeling.
  • Using both existing and novel techniques to extract and visualize SAR trends from chemical and biological data.
  • Continued research into new computational chemistry tools and methods relevant to the drug discovery and development process.


  • D. in computational chemistry or chemistry, biochemistry, biophysics, or a related scientific field with a computational emphasis plus 8+ years industry experience.
  • Demonstrated track record of leveraging in silico techniques to drive drug discovery projects or impacting hit finding activities in a drug discovery environment.
  • A comprehensive understanding of data mining and visualization, ligand and structure-based design, conformational analysis, and pharmacophore development.
  • Demonstrated understanding of all aspects of modern drug discovery including medicinal chemistry, DMPK principles and multi-parameter optimization.
  • Demonstrated experience functioning within strong multi-disciplinary project teams.
  • Demonstrated experience in complex problem solving through in depth analysis of data.
  • Experience with scientific software such as MOE, Pipeline Pilot, Spotfire, Discovery Studio, Schrödinger, Certara, and ChemAxon. Programming experience is a plus.

To apply for this position, please forward your resume and cover letter to