Logo
Discover International

Principal Computational Chemist – Computational Drug Design (CADD)

Discover International, Boston

Save Job

Principal Computational Chemist – Computational Drug Design (CADD)

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.

Seniority level: Mid‑Senior level

Employment type: Full‑time

Job function: Science

#J-18808-Ljbffr