Scientist/Sr. Scientist, Computational Chemistry

Cambridge, MA
Feb – March 2022
New Equilibrium Biosciences discovers drugs that target intrinsically disordered proteins through its integrated computational-experimental platform, with the mission of creating transformative medicines for patients with cancers and neurodegenerative disorders. We are seeking a PhD-level computational chemist with an industry background in drug discovery to join our growing team starting in February-March 2022. You should have at least two years of industry experience in structure-based drug discovery, and you should be excited to discover drugs for highly flexible, currently undrugged targets as part of an interdisciplinary team.

Required Qualifications

  • Ph.D./postdoc with at least two years (or M.S. with at least four years) of industry experience in drug discovery
  • Experience with computational drug discovery in an industry setting
  • Positive attitude and intrinsic enthusiasm for discovering drugs targeting intrinsically disordered proteins
  • Out-of-box thinker committed to rigorous scientific work

Desired Qualifications

  • Experience with all or some of these:
    • Virtual screening and docking
    • Structure-based drug discovery
    • Fragment-based drug discovery
    • Free Energy calculations
    • AI-based drug discovery
    • Molecular Dynamics simulations
    • Developing algorithms related to in silico screening or structure-based drug discovery
    • Intrinsically disordered proteins
    • Targeting allosteric protein sites
    • Statistical Mechanics, Thermodynamics, and/or Quantum Chemistry theory
    • Working with or managing relationships with CROs
  • Experience collaborating with interdisciplinary teams to discover drugs
  • Excellent oral and written communication skills


  • Designing and optimizing ligands for regulating intrinsically disordered proteins
  • Working closely with experimentalists, modelers, and medicinal chemists to design and test drug molecules
  • Developing new drug design approaches specifically for intrinsically disordered protein targets
  • Managing relationships with multiple CROs, as needed
  • Preparing figures/slides/documents for external presentations
  • Helping shape the culture of New Equilibrium Biosciences
To apply, please fill out this Google form by February 7th, 2022. We will be reviewing applications as they come in, so apply now and join us in our mission of creating new medicines for life-threatening diseases!