Associate Computational Chemistry Jobs (NOW HIRING)

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Objective / Purpose:

The Associate Scientific Director, DNA-Encoded Library (DEL) Selection, will provide scientific leadership for DEL selection campaigns supporting small-molecule drug discovery. This individual will design and execute DEL screening strategies, interpret DEL data, identify and prioritize chemical hits, and lead cross-functional efforts to advance validated hits through hit-to-lead.

The role requires strong expertise in DEL selection, data analysis, hit identification, and collaborative drug discovery, as well as the ability to work effectively across medicinal chemistry, biology, biophysics, structural biology, computational chemistry, and related functions.

Accountabilities:

Key Responsibilities

• Develop and implement DEL selection strategies aligned with discovery program objectives.
• Design and execute robust DNA-encoded library selection and affinity-capture campaigns against a diverse and challenging target protein classes, including assay strategy, controls, target preparation, and campaign execution.
• Analyze and interpret DEL sequencing and enrichment data to identify meaningful hit series.
• Establish data-quality, hit-triage, and prioritization criteria based on enrichment, potency, selectivity, chemical tractability, and biological relevance.
• Lead hit identification and validation activities, including off-DNA resynthesis, analytical confirmation, and orthogonal assay testing.
• Scale internal screening infrastructure, optimize reagent validation, and integrate automated liquid handling or Net-Generation Sequencing (NGS) sample Preparation.
• Coordinate cross-functional teams to progress DEL-derived hits through hit-to-lead.
• Collaborate with medicinal chemistry, biology, biophysics, structural biology, computational chemistry, DMPK, and project leadership teams to triage and validate hits.
• Support the design of follow-up libraries and focused DEL campaigns to optimize hit series.
• Provide scientific interpretation of DEL results and make clear recommendations regarding project progression, risks, and next steps.
• Develop and maintain best practices, workflows, and standard operating procedures for DEL selection and data analysis.
• Manage internal and external collaborations, vendors, and technology partners as needed.
• Present project strategy, results, and scientific recommendations to project teams and senior leadership.
• Mentor scientists and contribute to a collaborative, innovative, and scientifically rigorous research environment
• Data & Hit Analysis: Oversee informatics workflows to interpret complex enrichment data, prioritize active series and guide H2L

Leadership Competencies

• Strategic and scientifically rigorous thinker
• Collaborative and inclusive team leader
• Strong cross-functional influencer
• Results-oriented and accountable
• Able to translate complex data into actionable decisions
• Effective communicator and mentor
• Comfortable working in a matrixed, fast-paced research environment

Qualifications (Required)

• Expected Requirements:
  • PhD in Chemistry, Chemical Biology, Biology, Biochemistry, Pharmacology, or a related scientific discipline with6+ years of relevant experience;or
  • MS in a relevant scientific discipline with12+ years of relevant experience;or
  • BS in a relevant scientific discipline with14+ years of relevant experience.
  • Demonstrated hands-on and strategic expertise in DEL selection design and screening workflows, execution, and interpretation.
  • Strong experience analyzing DEL data, including sequencing data, enrichment patterns, controls, and hit prioritization.
  • Experience leading cross-functional teams for hit identification, hit validation, and hit-to-lead activities.
  • Understanding of small-molecule drug discovery and medicinal chemistry principles.
  • Excellent scientific communication, collaboration, project leadership, and problem-solving skills.

Preferred Candidate will have;

• Experience with affinity-based, functional, or cellular DEL selection approaches.
• Knowledge of DNA-compatible chemistry and on-DNA synthesis.

• Experience with DEL data-analysis tools, bioinformatics, or sequencing workflows.
• Experience integrating DEL data with structural biology, biophysics, computational chemistry, or medicinal chemistry.
• Track record of advancing DEL-derived hits into lead optimization or development programs.
• Publications, patents, conference presentations, or other evidence of scientific leadership.
• Deep hands-on knowledge of target incubation, affinity selections, NGS data processing and orthogonal biophysical validation methods (e.g., SPR, TR-FRET, MST)

Other: This role will be located in Cambridge, MA in accordance to our remote and hybrid work policy.

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:

U.S. Base Salary Range:

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.

For information about our benefits, please click here.

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Job Exempt