Job Description

Senior / Principal Scientist, Computational Chemist

June 19, 2019

Frontier Medicines, located in South San Francisco, CA, is a pre-clinical stage biopharmaceutical company that is pioneering breakthrough technologies to drug the “undruggable” proteome. Frontier Medicines’ proprietary platform uses chemoproteomics – an innovative approach to chemically interrogate proteins in living systems – to discover and pharmacologically target new binding pockets (or hotspots) on proteins for the purpose of making them accessible to therapeutic intervention.

Frontier Medicines is seeking a highly motivated individual to fill the position Senior/Principal Scientist Computational Chemistry to join our newly forming Data Sciences team. The successful candidate will play a leading role in developing medicinal chemistry optimization strategies for our most important targets. He/she will be reviewing experimental results and develop SAR hypotheses for activity, selectivity and properties and make suggestions to improve the profiles of our leading small molecule drug candidates. This is an opportunity to join and work in a highly collaborative and energetic team in a startup environment with short communication lines across functions and departments. The computational chemist will report directly to the CTO and is located in South San Francisco.

Key Responsibilities

  • Design, execute, and analyze computational chemistry experiments utilizing ligand based and structure based drug design strategies.
  • Develop big-data type algorithmic approaches to generate insights about compound series and analyze and guide screening library design using cheminformatics techniques.
  • Stay on top of latest developments in the field of computer aided drug design (CADD) and lead the internalization of promising approaches.
  • Be a valuable partner for our internal and external medicinal chemists with expert knowledge about our small molecule lead series including SAR, properties, selectivity patterns and etc.
  • Communicate results, hypotheses and suggestions in a clear manner in written and oral form.


  • Ph.D. in a Computational Science (computational chemistry, computational biology or related discipline), with at least 2 years of post-graduate experience in a pharmaceutical R&D setting.
  • Expert level experience with one or more computational chemistry suites (MOE, Maestro, OpenEye) is required.
  • Working knowledge with scripting languages (e.g. Python) is required.
  • Experience working in a drug discovery setting with multi-disciplinary teams is preferred.
  • Excellent writing and verbal skills are required.
  • Ability to work with independence and drive in a startup environment.
  • A commitment to excellence, including ensuring that fellow team members focus on high quality science and a professional working environment.
  • Legally authorized to work in the US.

To apply, please send your resume to