Associate Director, Computational Chemistry

Cambridge, MA
New Equilibrium Biosciences discovers drugs that target intrinsically disordered proteins through its computational-experimental IDP-Shift platform, with the mission of creating transformative medicines for patients with life-threatening diseases. We are leveraging IDP-Shift to rationally design drug molecules for regulating multiple IDPs in a wide range of diseases including Oncology and Neurodegenerative disorders. We are seeking a highly skilled and experienced computational chemist to join our discovery research team. This position includes the responsibility for the development and execution of the computational chemistry strategy across our drug discovery portfolio.

Required Qualifications

  • Ph.D. or equivalent in computational chemistry, cheminformatics, physics, or chemistry with at least 7 years of experience in computational chemistry applied to small-molecule drug discovery, preferably in an industrial setting
  • Ability to work independently as well as in close collaboration with multi-disciplinary drug discovery teams of medicinal chemists, biochemists, biophysics scientists, biologists, structural biologists, pharmacologists, and external collaborators
  • Experience applying modeling to improve potency, selectivity, and pharmacokinetic profiles both independently and in parallel as part of multi-parameter optimization
  • Proficient with commercial platforms such as Cresset, CCG, OpenEye and/or Schrodinger in application to ligand docking, pharmacophore modelling, MD simulations, building QSAR/ADMET models, cheminformatics, HTS triage, enumerating and profiling large virtual libraries, and the design of small, focused libraries for synthesis
  • Proficient in one or more programming languages (e.g., Perl, C/C++, Java, Python) and knowledge of Linux / UNIX systems and utilizing cloud computing where needed
  • State-of-the-art knowledge of standard and advanced computational methods
  • Proven track record of sustained high performance and innovative project contributions, including patents, presentations, and/or peer-reviewed publications
  • Effective communication of hypotheses, SAR analysis, structural designs / docking experiments using graphics tools and interactive sessions
  • Able to engage and influence senior leadership in strategic discussions
  • Excellent oral / written communication and presentation skills
  • Flexible, independent, organized, detail-oriented team player

Desired Qualifications

  • Experience with ligand-based and protein-based drug design, scaffold morphing, conformational analysis, data handling, and cheminformatics
  • Knowledge of various commercial modeling tools
  • Contributions as member of successful multi-disciplinary teams
  • Understanding of key aspects of medicinal chemistry and drug discovery
If interested, please send your CV and cover letter to careers@newequilibriumbio.com. Apply now to join us in our mission of creating new medicines for life-threatening diseases!