Computational Chemistry Research Scientist

About the Role

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 role involves close interaction with interdisciplinary project teams to identify and advance safe and efficacious molecules, and collaboration within the global Data and Computational Sciences group to provide expertise in data analysis, computational chemistry, and AI method development. The individual must demonstrate strong interpersonal skills and the ability to guide scientists in drug discovery.

Key Responsibilities

• 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.

Requirements & Tech Stack

• Experience with commercial and open-source molecular modeling software.
• Scripting and programming expertise in languages such as Python.
• Strong expertise in structure-based drug design.
• Experience leveraging modern AI computational capabilities for both design and discovery workstreams.
• Proven success influencing teams with computational methods.

Qualifications

• Ph.D. (or equivalent degree) in Computational Chemistry.
• 0-3 years of productive, relevant employment experience in computational drug design.
• Excellent interpersonal, communication, and presentation skills.
• In-depth knowledge of state-of-the-art computational chemistry and its application in drug discovery.
• Knowledge of concepts related to drug discovery and development.
• Strong solution-oriented attitude, spirit of innovation and creativity, good time and priority management.
• Strong programming, data analysis, and communication skills.

This role is eligible for an annual bonus and annual equity awards. Some roles may also be eligible for overtime pay.

This is a Hybrid-Eligible or On-Site Eligible role.