Principal Computational Chemist – Computational Drug Design (CADD)

Principal Computational Chemist – Computational Drug Design (CADD)

Location: Boston, MA (Hybrid)

Full-Time

We are seeking an experienced computational medicinal chemist to join a dynamic, early-stage biotech team focused on advancing small molecule therapeutics. This role offers the opportunity to leverage physics-based simulations, AI/ML, and structural biology to drive drug discovery programs from hit identification through lead optimization.

What You’ll Do:

• Lead computational design of small molecule therapeutics, integrating simulation, structural, and assay data to inform project decisions.
• Apply and improve advanced computational approaches, including physics-based simulations and AI/ML, across all stages of drug discovery.
• Collaborate closely with cross-functional teams including medicinal chemistry, structural biology, and computational development.
• Mentor junior scientists and interns, building computational knowledge across the organization.

What We’re Looking For:

• PhD in computational chemistry, physical or organic chemistry, physics, or related field.
• 5 years of experience in computer-aided drug design or related biotech/pharma roles, with a track record of advancing small molecule projects.
• Expertise in physics-based simulations, AI/ML, and generative computational approaches.
• Strong programming skills (Python, R, C ) and experience with molecular simulation packages (AMBER, OpenMM, NAMD, Gromacs).
• Excellent collaboration, communication, and organizational skills.