Associate Director, Computational Chemistry - Drug Discovery

Otsuka Pharmaceutical Companies (U.S.); Boston (MA); On-site; USD 170,000 - 210,000; Full time

Job summary

Jnana Therapeutics, a wholly owned subsidiary of Otsuka, is seeking an Associate Director of Computational Chemistry in Boston to apply structure-based drug design across the discovery process. You will collaborate with cross-functional teams to deliver models, predictions, and actionable insights that accelerate clinical development.

You will lead a team of computational scientists, develop new tools, and contribute to strategy with a focus on delivering high-quality designs and robust

Qualifications

• PhD in Computational Chemistry, Medicinal Chemistry, or related field with 7–10+ years of experience.
• Proven track record applying structure-based drug design to lead optimization.
• Experience supporting IND-enabling activities and regulatory filings.
• Deep expertise in molecular modeling and industry-standard tools.
• Strong understanding of SAR, potency, selectivity, ADME, and developability.
• Experience with X-ray crystallography and cryo-EM data translation.
• Ability to communicate complex results to non-computational scientists.

Responsibilities

• Act as computational lead on therapeutic projects to guide design.
• Collaborate with medicinal chemists to optimize compounds for potency and developability.
• Integrate structural insights with ADME and safety considerations.
• Present design recommendations to project teams and leadership.
• Stay current with advances in computational chemistry methods.

Skills

Structure-based design

Molecular modeling

Cross-functional collaboration

IND experience

Python scripting

Education

PhD in Computational Chemistry

PhD in Medicinal Chemistry

Tools

Molecular dynamics

Free energy calculations

Protein-ligand docking

X-ray crystallography

Cryo-EM data

Job description

Jnana Therapeutics, a wholly owned subsidiary of Otsuka, is seeking an Associate Director of Computational Chemistry in Boston to apply structure-based drug design across the discovery process. You will collaborate with cross-functional teams to deliver models, predictions, and actionable insights that accelerate clinical development.

You will lead a team of computational scientists, develop new tools, and contribute to strategy with a focus on delivering high-quality designs and robust