Takeda
Overview
Senior Scientific Director, Computational Chemistry at Takeda. This role focuses on discovering first-/best-in-class small molecules, bifunctional degraders, and RNA/oligonucleotides by leveraging computational chemistry and cheminformatics. The role includes mentoring junior team members and collaborating with global chemistry, structural biology, DMPK, and safety experts to define a roadmap for computational tools that empower medicinal chemists. Responsibilities
Co-design molecules for several drug discovery programs across various modalities including small molecules, molecular glues, degraders, and RNA/oligonucleotides Demonstrate expert understanding of computational chemistry principles and their application within a multidisciplinary drug discovery environment Provide technical knowledge and input to project teams to drive decision-making in drug discovery by applying SAR, target biology, and predictive methods for on- and off-target activity, physical properties, PK/PD, and synthetic feasibility Implement and execute innovative computational methodologies and tools such as AI-based drug discovery and both commercial and open-source software Mentor junior computational chemists on molecular design best practices Open to traveling and spending time on both sites as required Serve as a trusted thought partner to drive ideation and execution of innovative chemistry strategies aligned with Takeda’s therapeutic goals Education & Competencies (Technical and Behavioral)
The ideal candidate will have demonstrated impact in drug discovery, leveraging cutting-edge physics-based modeling, AI/ML approaches, and generative chemistry, and will collaborate effectively with biologists, structural biologists, pharmacologists, DMPK scientists, and lead and mentor computational chemistry teams. PhD in Computational Chemistry, Chemical Physics, Medicinal Chemistry, or related disciplines, with 20+ years of experience in pharmaceutical or biotech Deep expertise in structure-based design, ligand-based design, and cheminformatics with a strong background in medicinal chemistry principles Proven track record in using computational methods to drive small molecule drug discovery from hit identification to clinical candidate selection Extensive knowledge of computational chemistry tools, including docking, molecular dynamics, FEP, QSAR modeling, and generative AI Strong programming and scripting skills (e.g., Python, R, C/C++) with experience building and automating computational workflows Strong publication record demonstrating innovative contributions to computational chemistry and drug discovery Additional Information
The position will be based in Cambridge, MA. This position is classified as “hybrid” by Takeda’s Hybrid and Remote Work policy. Compensation & Benefits
U.S. Base Salary Range: $208,200.00 - $327,140.00. The estimated salary range reflects an anticipated range for this position and may depend on qualifications, experience, skills, education, and location. The actual base salary offered will comply with state or local minimum wage requirements. U.S. based employees may be eligible for incentives and benefits including medical, dental, vision insurance, 401(k) with company match, disability coverage, life insurance, tuition reimbursement, paid time off, and other well-being benefits. EEO Statement
Takeda is committed 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 other protected characteristics, in accordance with applicable laws. Locations
Boston, MA; Cambridge, MA
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Senior Scientific Director, Computational Chemistry at Takeda. This role focuses on discovering first-/best-in-class small molecules, bifunctional degraders, and RNA/oligonucleotides by leveraging computational chemistry and cheminformatics. The role includes mentoring junior team members and collaborating with global chemistry, structural biology, DMPK, and safety experts to define a roadmap for computational tools that empower medicinal chemists. Responsibilities
Co-design molecules for several drug discovery programs across various modalities including small molecules, molecular glues, degraders, and RNA/oligonucleotides Demonstrate expert understanding of computational chemistry principles and their application within a multidisciplinary drug discovery environment Provide technical knowledge and input to project teams to drive decision-making in drug discovery by applying SAR, target biology, and predictive methods for on- and off-target activity, physical properties, PK/PD, and synthetic feasibility Implement and execute innovative computational methodologies and tools such as AI-based drug discovery and both commercial and open-source software Mentor junior computational chemists on molecular design best practices Open to traveling and spending time on both sites as required Serve as a trusted thought partner to drive ideation and execution of innovative chemistry strategies aligned with Takeda’s therapeutic goals Education & Competencies (Technical and Behavioral)
The ideal candidate will have demonstrated impact in drug discovery, leveraging cutting-edge physics-based modeling, AI/ML approaches, and generative chemistry, and will collaborate effectively with biologists, structural biologists, pharmacologists, DMPK scientists, and lead and mentor computational chemistry teams. PhD in Computational Chemistry, Chemical Physics, Medicinal Chemistry, or related disciplines, with 20+ years of experience in pharmaceutical or biotech Deep expertise in structure-based design, ligand-based design, and cheminformatics with a strong background in medicinal chemistry principles Proven track record in using computational methods to drive small molecule drug discovery from hit identification to clinical candidate selection Extensive knowledge of computational chemistry tools, including docking, molecular dynamics, FEP, QSAR modeling, and generative AI Strong programming and scripting skills (e.g., Python, R, C/C++) with experience building and automating computational workflows Strong publication record demonstrating innovative contributions to computational chemistry and drug discovery Additional Information
The position will be based in Cambridge, MA. This position is classified as “hybrid” by Takeda’s Hybrid and Remote Work policy. Compensation & Benefits
U.S. Base Salary Range: $208,200.00 - $327,140.00. The estimated salary range reflects an anticipated range for this position and may depend on qualifications, experience, skills, education, and location. The actual base salary offered will comply with state or local minimum wage requirements. U.S. based employees may be eligible for incentives and benefits including medical, dental, vision insurance, 401(k) with company match, disability coverage, life insurance, tuition reimbursement, paid time off, and other well-being benefits. EEO Statement
Takeda is committed 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 other protected characteristics, in accordance with applicable laws. Locations
Boston, MA; Cambridge, MA
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