Associate Principal Scientist, Molecular Modeling

Merck is seeking an accomplished Associate Principal Scientist, Molecular Modeling to join our research community in Boston, Suffolk County, where computational insight accelerates the discovery of life-changing medicines.

About the Role

As an Associate Principal Scientist, Molecular Modeling at Merck in Boston, you will apply computational chemistry and structure-based design to advance drug discovery programs. This is a full-time, on-site position that places you at the intersection of data science and experimental research, helping translate molecular insight into therapeutic candidates that save and improve lives.

Key Responsibilities

• Design, build, and apply molecular modeling and simulation approaches to support active drug discovery projects.
• Use structure-based and ligand-based methods to guide the design and prioritization of new compounds.
• Partner with medicinal chemists, biologists, and cross-disciplinary teams to interpret computational results and inform experimental direction.
• Communicate modeling findings clearly to project teams and contribute scientific perspective to program strategy.
• Stay current with emerging computational methods and integrate them into Merck's discovery workflows.

Qualifications

• Advanced training in computational chemistry, biophysics, molecular modeling, or a closely related scientific discipline.
• Hands-on experience with molecular simulation, structure-based drug design, and related computational tools.
• Strong analytical skills and the ability to apply modeling to real-world pharmaceutical research questions.
• Effective collaboration and communication skills for working within multidisciplinary teams.
• Willingness to work on-site in Boston, Suffolk County.

About Merck

Merck is a global biopharmaceutical leader with a broad portfolio spanning prescription medicines, oncology, vaccines, and animal health. With roughly 69,000 employees working across more than 140 countries, our purpose is to develop and deliver innovative products that save and improve lives. We provide modern laboratories, plants, and office environments designed to support scientific excellence and collaboration.

How to Apply

Ready to advance your career in molecular modeling with Merck in Boston? View the full listing and apply via Adzuna to be considered for this full-time Associate Principal Scientist, Molecular Modeling opportunity.