Discover International
Principal Computational Chemist – Computational Drug Design (CADD)
Discover International, Boston, Massachusetts, us, 02298
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
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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