Sr. Scientist, Computational Chemistry

Takeda
Boston, MA

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Job Description

Objective / Purpose:

  • Work as part of a multi-disciplinary team of medicinal chemists, structural biologists, data scientists and biologists and provide computational expertise to advance drug discovery projects
  • Contribute to drug discovery efforts across various modalities including small molecules, PROTACs, RNA inhibitors, peptides, and more
  • Implement and execute innovative computational methodologies and tools such as AI, free energy, and cheminformatics approaches to support drug discovery efforts

Accountabilities:

  • Demonstrate an understanding of computational chemistry principles and their application within a multidisciplinary drug discovery environment.
  • Independently design, develop and execute research assignments, contributing to multiple projects
  • Identify, develop, validate, and implement innovative computational approaches that enhance research productivity and success
  • Provide key technical knowledge and input to project teams to drive decision-making in drug discovery projects

Education & Competencies (Technical and Behavioral):

Technical/Functional (Line) Expertise

  • Experience with a variety of computational tools and methodology including large-scale virtual screening, ligand ability analyses, homology modeling, quantum mechanics, pharmacophore elucidation, machine learning and more against common drug discovery targets (GPCRs, Kinases etc.)
  • Comprehensive experience in data mining and data analysis.
  • Familiarity with organic and synthetic chemistry concepts
  • Demonstrated ability to provide project teams with computational strategies to inform, influence, and prioritize designs for potency/selectivity and improve ADME/Tox endpoints
  • Experience developing and deploying design and/or AI platforms to impact drug discovery
  • Familiarity with standard computational chemistry software including Schrodinger Suites, KNIME, and more
  • Proficiency in scientific scripting and programming languages including python
  • Experience with operations in Linux and/or cloud environments

Leadership

  • Identifies, plans and executes novel scientific projects and lead platform initiatives.

Decision-making and Autonomy

  • Independently manages workload and expectations
  • Scientifically independent
  • Influence decision making within the department
  • Lead a computational chemistry initiative such as holo structure prediction, ligandability analyses, and large-scale virtual screening workflows

Interaction

  • Conducts scientific presentations to internal audiences
  • Collaborate with cross functional scientists and across geographic areas

Innovation

  • Maintain an interest in cutting-edge science and act proactively to acquire technologies that match the needs of the team
  • Receives high level instructions on all work, determines methods on new assignments, works closely with manager

EDUCATION, BEHAVIORAL COMPETENCIES AND SKILLS:

  • PhD degree in Chemistry or equivalent
  • Expected 2+ years of experience in industry

Takeda Compensation and Benefits Summary

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.

For Location:

Boston, MA

U.S. Base Salary Range:

$137,000.00 - $215,270.00


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 location.

U.S. based employees may be eligible for short-term and/ or long-term incentives. U.S. based employees may be eligible to participate in medical, dental, vision insurance, a 401(k) plan and company match, short-term and long-term disability coverage, basic life insurance, a tuition reimbursement program, paid volunteer time off, company holidays, and well-being benefits, among others. U.S. based employees are also eligible to receive, per calendar year, up to 80 hours of sick time, and new hires are eligible to accrue up to 120 hours of paid vacation.

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.

Locations

Boston, MA

Worker Type

Employee

Worker Sub-Type

Regular

Time Type

Full time

Job Exempt

Yes

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.
Posted 2025-12-06

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