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Computational Chemistry Principal Research Scientist (Computational Drug Design)

Vertex Pharmaceuticals · Boston, MA

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ResearchFull-time$145k–$217kCompany career page

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Role summary

Vertex Pharmaceuticals seeks a computational chemist to lead drug design initiatives using molecular modeling, cheminformatics, and AI methods. The role involves advancing hit/lead identification programs, mentoring junior scientists, and collaborating across discovery teams in Boston on a hybrid basis.

What they're looking for

  • Ph.D. in Computational Chemistry or equivalent with 6+ years drug design experience
  • Expertise in structure-based design and small-molecule optimization
  • Proficiency with commercial and open-source molecular modeling software
  • Programming skills in Python and data analysis capabilities
  • Experience applying modern AI computational methods to drug discovery
  • Strong interpersonal, communication, and presentation abilities

What you'll be doing

  • Apply computational chemistry methods to accelerate drug candidate discovery and design
  • Provide scientific leadership across discovery programs and guide computational approaches
  • Partner with medicinal chemists to generate design hypotheses and drive experimental decisions
  • Evaluate and advance AI-enabled approaches for molecular design and prediction
  • Mentor junior scientists and establish computational best practices

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