Computational Chemistry Research Scientist; Computational Drug Design
Listed on 2026-10-17
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Research/Development
Research Scientist, Drug Discovery, Data Scientist
General Summary
We are seeking a highly motivated and experienced computational chemist to join our Computational Drug Design group in Boston. This individual will be responsible for contributing to both hit/lead identification and optimization programs using a broad range of computational approaches including molecular modeling, cheminformatics, data science, and AI-enabled methods. The right candidate's responsibilities include close interaction with interdisciplinary projects teams to identify and advance safe and efficacious molecules.
In addition, this individual will work collaboratively within the global Data and Computational Sciences group to provide expertise in data analysis, computational chemistry and AI method development. This individual must demonstrate strong interpersonal skills and the ability to guide scientists in drug discovery.
We are seeking a highly motivated and experienced computational chemist to join our Computational Drug Design group in Boston. This individual will be responsible for contributing to both hit/lead identification and optimization programs using a broad range of computational approaches including molecular modeling, cheminformatics, data science, and AI-enabled methods. The right candidate's responsibilities include close interaction with interdisciplinary projects teams to identify and advance safe and efficacious molecules.
In addition, this individual will work collaboratively within the global Data and Computational Sciences group to provide expertise in data analysis, computational chemistry and AI method development. This individual must demonstrate strong interpersonal skills and the ability to guide scientists in drug discovery.
- Apply computational chemistry methods and tools to accelerate the discovery and development of drug candidates, in close collaboration with chemists, structural biologists, biologists and other research project scientists
- Use timely decision making to ensure focus and delivery of key project objectives. Promote high levels of productivity and urgency
- Leverage physics-based methods, generative models and machine learning approaches to design new chemical entities
- Proactively work with other computational chemists and cheminformaticians to assess and develop new computational methodologies, create workflows and share successful methods
- Contribute to the further development of Vertex's computational chemistry capabilities
- Seek out opportunities to improve Vertex's global R&D capabilities through collaboration with DMPK, Structural Biology, Safety Assessment, and other groups.
- Excellent interpersonal, communication and presentation skills
- In depth knowledge of state-of-the-art computational chemistry and its application in drug discovery
- Experience with commercial and open-source molecular modeling software
- Knowledge of concepts related to drug discovery and development
- Strong solution-oriented attitude, spirit of innovation and creativity, good time and priority management
- Scripting and programming expertise in languages such as Python
- Ph.D. (or equivalent degree) in Computational Chemistry and 0-3 years of productive, relevant employment experience in computational drug desin
- Strong expertise in structure-based drug design
- Experience leveraging modern AI computational capabilities for both design and discovery work streams
- Proven success influencing teams with computational methods
- Strong programming, data analysis, and communication skills
At Vertex, we embrace continuous learning and encourage employees to stay informed on advances in AI, technology, automation, and industry trends. We seek talent who bring an external perspective, demonstrate curiosity and sound judgment, and thoughtfully adopt new capabilities that improve decision-making, drive innovation, increase efficiency, and help deliver better outcomes for patients.
Pay Range$108,000 - $162,000
Disclosure StatementThe range provided is based on what we believe is a reasonable estimate for the base salary pay range for this job at the time of posting. This role is eligible for an annual bonus and annual equity awards. Some roles may also be eligible for overtime pay, in accordance with federal and state requirements. Actual base salary pay will be based on a number of factors, including skills, competencies, experience, and other job-related factors permitted by law.
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