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BioSpace

Sr. Scientist, Computational Chemistry

BioSpace, Boston, Massachusetts, us, 02298

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We are looking for a

Sr. Scientist, Computational Chemistry

to join

BioSpace

in the Boston, MA area.

Job Description Work as part of a multidisciplinary team of medicinal chemists, structural biologists, data scientists, and biologists, providing computational expertise to advance drug discovery projects across modalities including small molecules, PROTACs, RNA inhibitors, peptides, and more.

Responsibilities

Implement and execute innovative computational methodologies and tools such as AI, free energy, and cheminformatics approaches to support drug discovery efforts.

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.

Technical/Functional Expertise

Experience with large‑scale virtual screening, ligandability analyses, homology modeling, quantum chemistry, pharmacophore elucidation, machine learning, and related methodologies against common drug discovery targets (GPCRs, kinases, etc.).

Comprehensive experience in data mining and data analysis.

Familiarity with organic and synthetic chemistry concepts.

Ability to provide computational strategies that 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 (Schrödinger Suites, KNIME, etc.).

Proficiency in scientific scripting and programming languages, including Python.

Experience with Linux and/or cloud environments.

Leadership & Decision-Making

Identify, plan, and execute novel scientific projects and lead platform initiatives.

Manage workload and expectations independently.

Lead a computational chemistry initiative such as holo‑structure prediction, ligandability analyses, and large‑scale virtual screening workflows.

Influence decision‑making within the department.

Interaction & Collaboration

Conduct scientific presentations to internal audiences.

Collaborate with cross‑functional scientists across geographic areas.

Innovation

Maintain an interest in cutting‑edge science and proactively acquire technologies that match team needs.

Work closely with manager to determine methods on new assignments.

Education & Experience

Ph.D. degree in Chemistry or equivalent.

Expected 2+ years of industry experience.

Compensation

U.S. Base Salary Range: $137,000.00 – $215,270.00.

U.S. based employees may be eligible for short‑term and/or long‑term incentives, 401(k) plan with match, medical, dental, vision, disability, life insurance, tuition reimbursement, paid volunteer time off, and other benefits.

EEO Statement Takeda is proud of 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, marital status, status as a Vietnam era veteran, special disabled veteran, or other protected veteran in accordance with applicable federal, state and local laws.

Location Boston, MA

Worker Details

Type: Employee, Regular

Time Type: Full time

Job Exempt: Yes

Seniority Level: Mid‑Senior level

Employment Type: Full‑time

Job Function: Research, Analyst, and Information Technology

Industries: Internet News

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