Computational Chemist

Pasadena, CA, United States
Apr 22, 2021
Science/R&D, Chemistry
Biotech Beach
Required Education
Bachelors Degree
Position Type
Full time
Company Overview: Terray Therapeutics is a venture-backed biotechnology company that is pioneering an automated, closed-loop, low latency, wet lab discovery platform and powerful AI capabilities to accelerate the discovery and development of small molecule therapeutics. Our internal development programs are focused on oncology and immunology. In addition to these programs we also work with leading pharmaceutical companies. Our platform is based on fluorescent imaging of ultra-dense microarrays such that, via thousands to millions of images, we can measure billions of target/molecule interactions in a day, generating hundreds of millions of dose-response binding curves.

Position Summary: Terray Therapeutics is seeking a motivated, creative, and experienced Computational Chemist. As an integral member of our data team, the candidate will be responsible for applying state-of-the-art computational approaches to accelerate the design of small molecules at all stages of the drug discovery pipeline. The position will report to the Head of Computational and Data Sciences.

The core responsibilities of this job will be
  1. Apply ligand-based (conformational analysis, flexible alignment, etc.) or structure-based (docking, scoring, etc.) drug design approaches at all stages of the drug discovery pipeline
  2. Develop fast, reaction-based and string-based enumeration techniques for screening libraries
  3. Work with chemists to design screening libraries from available building blocks and reactions
  4. Develop and improve hit finding criteria that is tailored to our screening platform
  5. Develop QSAR/machine learning models for understanding and predicting affinity, activity, ADME, and physiochemical properties

Experience and Qualifications:

Given the company's size, anticipated growth and fast-paced environment, the organization requires a computational chemist who is thoughtful, high energy and can partner with the broader organization to further enhance our next generation drug discovery capabilities.

Part of Terray Therapeutics' success is nurtured by a hands-on work environment where everyone is accountable, everyone is vested in a vision of excellence, and everyone actively takes part in the success of the business. Terray Therapeutics supports a positive work environment comprised of engaged employees who feel appreciated, recognized and free to be creative.

Qualifications include:
  • PhD in Computer Science, Applied Math, Computational Chemistry, or related quantitative field
  • Experience with at least one computational chemistry simulation suite (Schrodinger, MOE, etc.)
  • Experience with RDKit and at least one docking software (AutoDock Vina, rDock, etc.)
  • Experience with at least one quantum chemistry software package (Gaussian, Q-Chem, pyscf, etc.)
  • Experience with Linux environment and AWS cloud resources
  • Proficiency in Python and the PyData stack (numpy, pandas, scipy, dask, etc.)
  • Familiarity with scikit-learn, XGBoost, and either PyTorch or TensorFlow is a plus

She/he will exhibit the ability to work well under pressure to provide results in a short timeframe. The company is looking for a highly responsive, goal-oriented individual who will bring significant energy and drive to solve complex technical problems and help us achieve our mission to advance human health.