Takeda Pharmaceutical (US)
Senior Scientific Director, Computational Chemistry
Takeda Pharmaceutical (US), Boston, Massachusetts, us, 02298
Objective / Purpose
This role will play a pivotal role in discovering first-/best-in-class small molecules, bifunctional degraders, and RNA/oligonucleotides by leveraging computational chemistry and cheminformatics methods to design molecules as well as providing scientific mentoring and leadership to junior members of the team. The person will be tightly integrated into the computational chemistry team and also provide timely and innovative designs and support to our drug discovery programs. Additionally, the role will collaborate closely with global chemistry, structural biology, DMPK, and safety experts for molecular design and help to define a roadmap for computational tools that empower medicinal chemists in their design efforts. While the role will focus on a specific set of programs at any point in time, the drug discovery programs span Takeda’s therapeutic areas, including oncology, neuroscience, gastroenterology, and inflammation.
Accountabilities
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 crucial technical knowledge and input to project teams to drive decision-making in drug discovery projects by applying in-depth knowledge of structure-activity relationships (SAR), target biology, and predictive methods for assessing on- and off-target activity, physical properties, pharmacokinetics / pharmacodynamics (PK/PD), and synthetic feasibility
Implement and execute innovative computational methodologies and tools such as AI-based drug discovery, state-of-the-art commercial and open-source software tools/methods
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, helping to drive ideation and execution of innovative chemistry strategies that meet Takeda’s therapeutic goals
Qualifications
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 in 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 currently classified as “hybrid” by Takeda’s Hybrid and Remote Work policy.
Compensation and Benefits Location:
Boston, MA
U.S. Base Salary Range:
$208,200.00 - $327,140.00
U.S. based employees may be eligible for short- and long-term incentives. Employees may participate in medical, dental, vision insurance; 401(k) plan and company match; disability, life, tuition reimbursement; paid volunteer time; holidays; well-being benefits; up to 80 hours sick time; new hires accrue up to 120 hours 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.
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Accountabilities
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 crucial technical knowledge and input to project teams to drive decision-making in drug discovery projects by applying in-depth knowledge of structure-activity relationships (SAR), target biology, and predictive methods for assessing on- and off-target activity, physical properties, pharmacokinetics / pharmacodynamics (PK/PD), and synthetic feasibility
Implement and execute innovative computational methodologies and tools such as AI-based drug discovery, state-of-the-art commercial and open-source software tools/methods
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, helping to drive ideation and execution of innovative chemistry strategies that meet Takeda’s therapeutic goals
Qualifications
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 in 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 currently classified as “hybrid” by Takeda’s Hybrid and Remote Work policy.
Compensation and Benefits Location:
Boston, MA
U.S. Base Salary Range:
$208,200.00 - $327,140.00
U.S. based employees may be eligible for short- and long-term incentives. Employees may participate in medical, dental, vision insurance; 401(k) plan and company match; disability, life, tuition reimbursement; paid volunteer time; holidays; well-being benefits; up to 80 hours sick time; new hires accrue up to 120 hours 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.
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