Principal Scientist, Computational Chemistry

Frontier Medicines•South San Francisco, CA

54d•$175,000 - $231,000

About The Position

Frontier Medicines is seeking a highly motivated individual to fill the position of Principal Scientist, Computational Chemistry. The successful candidate will play a leading role in developing medicinal chemistry optimization strategies for key drug discovery programs. This individual will review experimental results, develop SAR hypotheses for activity, selectivity, and properties, and make design suggestions to improve the profiles of small molecule drug candidates. As a covalent drug discovery–focused company, there is the opportunity for method development within this evolving field, in addition to applying the full range of ligand-based and structure-based design approaches and leveraging data from chemoproteomics, AI and quantum mechanics. This role is key to Frontier Medicines’ success and an opportunity to work in a highly collaborative and energetic environment with short communication lines across functions and departments, and regular interactions with senior leaders. As the senior computational chemist, there is furthermore an opportunity to build out the computational team in the future

Requirements

Ph.D. in Computational/Theoretical Chemistry, Biophysics, or a related discipline with 5+ years of relevant industry experience in drug discovery (biotech or pharma).
Demonstrated expertise in applying computational chemistry to small molecule design and optimization.
Strong experience with leading computational chemistry tools, CCG tools including MOE is highly preferred
Basic knowledge of scripting and programming with Python preferred
Experience with quantum mechanics (QM) is highly preferred
Proven track record of scientific impact, as evidenced by publications, patents, and successful project contributions.
Solid understanding of medicinal chemistry principles, SAR analysis, and ADMET optimization.
Excellent communication, presentation, and cross-functional collaboration skills.
Ability to operate independently and as a scientific leader in a fast-paced, startup environment.
Legally authorized to work in the U.S.

Responsibilities

Design, execute, and analyze computational chemistry studies using a wide range of ligand-based, structure-based, and physics-based modeling techniques.
Partner closely with medicinal chemists and biologists to develop and refine structure–activity relationships (SAR), optimize molecular properties, and guide design hypotheses.
Contribute to project strategy and decision-making across all discovery stages, including target assessment, hit identification, lead optimization, and development candidate nomination.
Champion innovative computational tools and workflows, identify and implement emerging technologies that enhance Frontier’s CADD capabilities – specifically with an eye to the applicability to the covalent domain.
Work closely and partner with the AI team to develop and integrate novel AI applications into daily drug design workflows
Communicate scientific results, design rationales, and strategic insights to multidisciplinary teams and senior leadership.