Associate Director, Computational Chemistry

By clicking the “Apply” button, I understand that my employment application process with Takeda will commence and that the information I provide in my application will be processed in line with Takeda’s Privacy Notice and Terms of Use. I further attest that all information I submit in my employment application is true to the best of my knowledge.

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 a variety of computational tools and methodologies including docking, virtual screening, molecular dynamics, free energy perturbation, homology modeling, quantum mechanics, pharmacophore elucidation, data mining, machine learning, cheminformatics, clustering, similarity & diversity analysis.
• Significant Industry experience contributing as 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 .
• Provide project teams with computational strategies to inform, influence, and prioritize compound designs for potency/selectivity and improve ADME/Tox endpoints.
• Ability to effectively integrate emerging generative chemistry methods and other modern machine learning and artificial intelligence (AI) applications in small molecule drug discovery.
• Proficiency with state‑of‑the‑art Computational Chemistry software.

• Identifies, plans and executes novel scientific projects and lead 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. This position is currently classified as “hybrid” by Takeda’s Hybrid and Remote Work policy.

We understand compensation is an important factor as you consider the next step in your career. We are committed to equitable pay for all employees, and we strive to be more transparent with our pay practices.

Boston, MA

$ - $

The estimated salary range reflects an anticipated range for this position. The actual base salary offered may depend on a variety of factors, including the qualifications of the individual applicant for the position, years of relevant experience, specific and unique skills, level of education attained, certifications or other professional licenses held, and the location in which the applicant lives and/or from which they will be performing the job.

The actual base salary offered will be in accordance with state or local minimum wage requirements for the job…