Sr. Scientist Computational Chemistry

San Diego, California

  Computational Chemistry



Our client is a dynamic pharmaceutical company leading the charge in developing crucial therapies for those with rare endocrine diseases. Boasting a prolific discovery engine and a robust preclinical and clinical development pipeline, the company is dedicated to becoming the world’s premier fully-integrated endocrine company, actively shaping the future from initial discovery to patient care.

They are hiring an Associate Director of Computational Chemistry to join their team and contribute to the advancement of their drug discovery and development portfolio. The successful candidate will collaborate with multi-disciplinary teams to impact the optimization of chemical structures and play a pivotal role in influencing molecular pharmacology within the company’s discovery portfolio.


  • As a Sr. Computational Chemist, you will apply cutting-edge computational methods for modeling, simulating and predicting the behavior of chemical and biomolecular systems.

  • You will collaborate with medicinal chemists and interdisciplinary teams to design compounds, focusing on enhancing potency and selectivity.

  • Improve the understanding of Structure-Activity Relationship through structural modeling, AI/ML, statistical analysis, and data mining/visualization.

  • Develop and implement workflows for virtual screening, lead optimization, and structure-based design.

  • Analyze simulation data to gain insights into molecular interactions and binding modes of ligands with protein targets.

  • Lead Computational Chemistry projects 


  • PhD degree in a relevant field.

  • Three or more years of experience in the biotech/pharmaceutical environment, showcasing leadership experience.

  • Strong theoretical and practical understanding of various computational chemistry methods.

  • Experience working with cutting-edge computational chemistry software.

  • Proven ability in structure-based drug design, homology modeling, docking, and virtual screening.

  • Skills in basic programming experience in scripting languages (e.g., Perl, Python) and programming languages (e.g., Java, C, C++).


  • Salary: $150,000 – $190,000 DOE

  • Annual bonus

  • Stock options

  • 401k match

  • Health insurance 

If this sounds like the role for you, apply now in the link below or email your resume directly to for consideration.