Research Scientist, Computational Chemistry and Artificial Intelligence

Working from Home
May 21, 2022
Required Education
Position Type
Full time

Arvinas is a clinical-stage biopharmaceutical company leading the way in targeted protein degradation therapeutics. Arvinas is the first company to focus solely on protein degradation and its platform technology is the most advanced in the field. Since its founding in 2013, Arvinas’ PROTAC® Discovery Engine has been driving the most significant breakthroughs in the industry. Arvinas’ pipeline encompasses a range of validated and undruggable targets in oncology, immuno-oncology, and neuroscience. This includes three clinical-stage programs: bavdegalutamide (ARV-110) and ARV-766, which are being developed as potential treatments for men with late-line metastatic castrate-resistant prostate cancer, and ARV-471, which is being developed as a potential treatment for patients with breast cancer.

#TeamArvinas is made up of more than 350 passionate and curious employees, whose diverse thoughts and perspectives are highly valued. Arvinas employees embrace the freedom to pursue innovation, think creatively, and give back. They are driven by the company’s values and purpose – to improve the well-being of patients and families impacted by the devastating diseases Arvinas is working to treat. It’s an exciting time to be in drug development and it’s an exciting time to be at Arvinas. But don’t just take our word for it – here’s what Arvinas employees are saying. For more information, please visit


Position Summary

The successful candidate will have expertise in traditional computer assisted drug design and/or cutting-edge Machine Learning-driven drug design. You will play a key role in advancing various drug discovery projects from initial hit identification to the nomination of clinical drug candidates, as well as developing rational drug design strategies. You will be involved in multidisciplinary teams including computational chemists, medicinal chemists and biologists.

This position reports to the Director, Computational Chemistry, and is located at our Headquarters in New Haven, CT or may be performed remotely from a location in the US.


Principal Responsibilities

Key responsibilities of this role include, but are not limited to:

  • Supports and drives the discovery and advancement of targeted protein degraders (PROTACTM molecules) through computational and molecular modeling input.
  • Works closely with medicinal chemists, biologists and pharmacologists to develop and mature hit identification and lead optimization strategies and to execute those strategies from a computational perspective.
  • Develops molecular models and SAR rules in both classical and non-classical scenarios.
  • Develops in vivo pharmacokinetic models and in vitro ADME models.
  • Performs virtual screening and compound design using structure-based design methods.
  • Participates in selecting, evaluating and implementing software suites.
  • Develop cutting-edge Deep Learning technologies for applications in virtual screening, lead optimization and other drug-discovery related problems.



  • Minimum of 2 years of drug discovery experience.
  • Strong understanding of modeling and computational principles related to protein conformation, protein-protein interaction, protein-ligand interaction and physicochemical properties of compounds.
  • Development and coding experience in Python, Perl, Shell Scripts, C and/or C++ is highly desirable.
  • Experience with at least one Artificial Intelligence software library (TensorFlow, PyTorch, PyCaret, Keras) is a plus.
  • Demonstrated expertise in at least four areas from: virtual screening/docking, de novo design, compound redesign or optimization, molecular dynamics simulation, free energy perturbation, QSAR, DMPK models.
  • Advanced knowledge of Schrödinger, OpenEye, Rosetta, or Chemistry42 is a plus.
  • Experience in cheminformatics is a plus.
  • Experience in computer system administration is a plus.
  • Track-record of publications and patents.
  • A successful candidate will have an enabling attitude, be a problem solver and have a desire to work in a collaborative manner across all the functional areas.
  • Strong communication skills



  • Ph.D. in a computational chemistry/molecular modeling-related area.



Arvinas is proud to offer a competitive package of base and incentive compensation as well as a comprehensive benefits program designed to support the health, wellness and financial security of our employees and their families. Benefits include group medical, vision and dental coverage, group and supplemental life insurance, and much more. To learn more about Arvinas, please visit

Arvinas is an Equal Opportunity employer