Associate Director, Computational Chemistry

Base Pay Range

$/yr - $/yr

At Takeda, we are a forward‑looking, world‑class R&D organization that unlocks innovation and delivers transformative therapies to patients. By focusing R&D efforts on three therapeutic areas and other targeted investments, we push the boundaries of what is possible to bring life‑changing therapies to patients worldwide.

• As a Senior Computational Chemistry Leader, you will work as part of a multi‑disciplinary team of Medicinal Chemists, Computational Chemists, Data Scientists, Structural Biologists, Pharmacologists and Biologists to provide computational expertise to advance drug discovery projects.
• This role supports small molecule research initiatives across Takeda research sites, leading computational chemistry efforts to drive project progression at both locations.
• Implement and execute innovative computational methodologies and tools such as AI, free energy, and cheminformatics approaches to support drug discovery efforts.

• Demonstrate expert understanding of computational chemistry principles and their application within a multidisciplinary drug discovery environment.
• Identify, develop, validate, and implement innovative computational approaches that improve research productivity and success.
• Provide crucial technical knowledge and input to project teams to drive decision‑making in drug discovery projects.
• Build and develop a strong team of Computational Chemists to high productivity levels.

• Expertise in docking, virtual screening, molecular dynamics, free‑energy perturbation, homology modelling, quantum mechanics, pharmacophore elucidation, data mining, machine learning, cheminformatics, clustering, similarity & diversity analysis.
• Significant industry experience as a Computational Chemist on drug discovery projects.
• Strong impact in progressing discovery projects from hits to clinical leads.
• Extensive knowledge & experience in using a variety of tools for hit identification.
• Provide project teams with computational strategies to inform, influence, and prioritise compound designs for potency/selectivity and improve ADME/Tox endpoints.
• Ability to effectively integrate emerging generative chemistry methods and other modern machine learning and AI applications in small‑molecule drug discovery.
• Proficiency with state‑of‑the‑art computational chemistry software.

• Identifies, plans and executes novel scientific projects and leads platform initiatives.
• Experience in a supervisory role is strongly preferred.

• PhD degree in a scientific discipline with 7+ years of industry (pharma/biotech) drug discovery experience required.

• The position will be based in Cambridge, MA and is classified as “hybrid” under Takeda’s Hybrid and Remote Work policy.

We are committed to equitable pay for all employees and strive to be more transparent with our pay practices.

U.S. base salary range: $ – $. Actual salary will depend on qualifications, experience, skills, education, certifications and location. Employees may be eligible for short‑term and/or long‑term incentives, medical, dental, vision, 401(k) with match, disability coverage, life insurance, tuition reimbursement, paid volunteer time, company holidays, wellness benefits, sick time, and vacation perks.

Takeda is proud in its commitment to creating a diverse workforce and providing equal employment opportunities to all employees and applicants for employment without regard to race, color, religion, sex, sexual orientation, gender identity, gender expression, parental status, national origin, age, disability, citizenship status, genetic information or characteristics, marital status, status as a Vietnam‑era veteran, special disabled veteran, or other protected veteran in accordance with applicable federal, state and local laws, and any other characteristic protected by law.

It is unlawful in Massachusetts to require or administer a lie detector test as a condition of employment or continued employment. An employer who violates this law shall be subject to criminal penalties and civil liability.