Computational Chemist

Arvinas is a pharmaceutical company focused on developing new small molecules ‒ known as PROTACs (PROteolysis TArgeting Chimeras) ‒ aimed at degrading disease-causing cellular proteins via proteolysis. Based on innovative research conducted at Yale University by Dr. Craig Crews, Founder and Chief Scientific Advisor, the company is translating natural protein degradation approaches into novel drugs for the treatment of cancer and other diseases. The proprietary PROTAC-based drug paradigm induces protein degradation, rather than protein inhibition, using the ubiquitin proteasome system and offers the advantage of potentially targeting “undruggable” as well as “druggable” elements of the proteome. This greatly expands the ability to create drugs for many new, previously unapproachable targets. For more information, visit

Position Summary

An ideal candidate would have a well-trained background in molecular modeling or computational chemistry, having the flexibility to be integrated into the current group as well as work collaboratively with chemists and biologists and having the desire to learn and solve challenging problems. Extensive experience in molecular dynamics simulation, free energy prediction or protein-protein docking is highly sought.  This position reports to the Director of Computational Chemistry and will be located at our headquarters in New Haven, CT.

Primary Responsibilities

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

  • Support and drive the discovery and advancement of PROTACTM targeted protein degraders through computational and molecular modeling input.
  • Work closely with medicinal chemists, biologists and pharmacologists to develop and mature hit identification and lead optimization strategies and to execute from a computational perspective.
  • Develop molecular models and SAR rules in both classical and non-classical scenarios.
  • Perform virtual screening and compound design using structure-based design methods.
  • Participate in selecting, evaluating and implementing software suites.
  • Maintain enterprise cheminformatics database and electronic notebook systems.
  • Demonstrate deep expertise in theoretical and hands-on structure-based and ligand-based drug design.
  • Perform work on multiple classes of drug targets.
  • Apply strong understanding of modeling and computational principles related to protein conformation, protein-ligand interaction and physicochemical properties of compounds.


  • > 4 years of drug discovery experience, industrial experience preferred.
  • Work experience in at least two 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’s drug discovery suite.
  • Experience in managing Linux workstations and cloud instances is a plus. Experience in cheminformatics is a plus.
  • Development and coding experience is a plus.
  • Strong track-record of patents and publications.
  • 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.
  • Demonstrate excellent communication skills, including oral presentation and writing capabilities.


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


Please send CV and cover letter to:

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