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Associate Director, Computational Chemistry

San Diego, CA
Start date
Feb 20, 2024

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Science/R&D, Chemistry
Required Education
Bachelors Degree
Position Type
Full time
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Job Details

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.

Job Description



  • As the ASSOCIATE DIRECTOR, COMPUTATIONAL CHEMISTRY, you will work as part of a multi-disciplinary team of Medicinal Chemists, Computational Chemists, Structural biologists, Pharmacologists and Biologists to provide Computational expertise to advance drug discovery projects.
  • You will contribute to drug discovery efforts across various modalities including small molecules, bifunctional degraders, peptides, RNA/oligonucleotides, and biologics.
  • You will implement and execute innovative computational methodologies and tools such as AI approaches to support drug discovery efforts.


  • Responsible for visibility and representation of Computational Chemistry Accomplishments to Takeda executive team.
  • 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 important technical knowledge and input to project teams to drive decision making in drug discovery projects.
  • Manage and mentor a Strong team of Computational Chemists to high productivity levels


  • Strong 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, Cheminformatics, Clustering, Similarity & Diversity analysis.
  • 10+ years of strong Industry experience contributing as Computational Chemist on Pharma projects.
  • Strong Impact on progressing Discovery Projects from Hits to Clinical Leads
  • Strong knowledge & experience in using a variety of tools for Hit ID
  • Provide project teams with computational strategies to inform, influence, and prioritize compound designs for potency/selectivity and improve ADME/Tox endpoints.
  • Contribute to the design, development and deployment of AI platforms to impact drug discovery.
  • Identify and implement novel computational chemistry algorithms, technologies, and workflows.
  • Strong Proficiency with state of the art Computational chemistry software.
  • Proficiency in scientific scripting and programming languages


  • PhD degree in a scientific discipline with 7+ years experience , or MS with 13+ years experience, orBS with 15+ years experience
  • 5 years of Industry experience required
  • 5 years of managerial experience required

Base Salary Range: $143,500 to $205,000. Employees may also be eligible for Short Term and Long-Term Incentive benefits. Employees are eligible to participate in Medical, Dental, Vision, Life Insurance, 401(k), Charitable Contribution Match, Holidays, Personal Days & Vacation, Tuition Reimbursement Program and Paid Volunteer Time Off.

The final salary offered for this position may take into account a number of factors including, but not limited to, location, skills, education, and experience.

EEO Statement

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.


San Diego, CA

Worker Type


Worker Sub-Type


Time Type

Full time


Takeda is a global, values-based, R&D-driven biopharmaceutical leader headquartered in Japan, committed to discover and deliver life-transforming treatments, guided by our commitment to patients, our people and the planet. Takeda focuses its R&D efforts on four therapeutic areas: Oncology, Rare Genetics and Hematology, Neuroscience, and Gastroenterology (GI). We also make targeted R&D investments in Plasma-Derived Therapies and Vaccines. We are focusing on developing highly innovative medicines that contribute to making a difference in people’s lives by advancing the frontier of new treatment options and leveraging our enhanced collaborative R&D engine and capabilities to create a robust, modality-diverse pipeline. Our employees are committed to improving quality of life for patients and to working with our partners in health care in approximately 80 countries and regions.

For more information, visit

Stock Symbol: TAK

Company info
650 East Kendall Street
United States

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