Computational Chemistry Principal Research Scientist (Computational Drug Design, AI)

Location: Boston, Massachusetts; hybrid with at least 3 days per week onsite, or onsite five days per week with ad hoc flexibility

Base salary: $144,800–$217,200 annually, plus eligibility for an annual bonus and annual equity awards.

Company

Vertex is a global biotechnology company focused on scientific innovation and the development of medicines.

What you will do

• Apply computational chemistry methods and tools to accelerate hit identification, lead optimization, and drug candidate design.
• Provide scientific leadership across multiple discovery programs and influence computational design strategy.
• Partner with medicinal chemists and interdisciplinary research teams to generate design hypotheses and guide experimental decisions.
• Integrate structural, biological, and ADME/DMPK data to optimize compound profiles.
• Evaluate and advance AI-enabled approaches for molecular design, prediction, and decision support.
• Communicate findings to project teams and leadership, mentor junior scientists, and contribute to computational best practices.

Requirements

• Ph.D. or equivalent degree in Computational Chemistry.
• 6+ years of relevant experience in computational drug design with demonstrated progression in scientific leadership.
• Deep knowledge of state-of-the-art computational chemistry and drug discovery applications.
• Strong expertise in structure-based drug design and small-molecule optimization.
• Experience with molecular modeling software, modern AI computational methods, programming, and data analysis; Python expertise is expected.
• Strong communication, presentation, interpersonal, and strategic decision-making skills.

Nice to have

• Experience with beyond-rule-of-five modalities.

Culture & Benefits

• Continuous learning and encouragement to stay current with AI, technology, automation, and industry trends.
• Medical, dental, and vision benefits.
• Generous paid time off, including summer and winter company shutdowns.
• Educational assistance programs, including student loan repayment.
• Commuting subsidy, charitable donation matching, and 401(k).