Lead Computational Chemist, Drug Discovery & AI

Vertex Inc.; Boston (MA); Hybrid; USD 145,000 - 217,000; Full time

Job summary

Vertex seeks a highly motivated computational chemist to join the Computational Drug Design group in Boston, contributing to hit/lead identification and optimization with modeling, cheminformatics, data science, and AI-enabled methods.

This Boston-based, hybrid position requires 3 days per week onsite and offers collaboration across a global Data and Computational Sciences group while mentoring colleagues throughout drug discovery.

Qualifications

• Ph.D. (or equivalent) in Computational Chemistry with 6+ years of relevant industry experience.
• Strong expertise in structure-based drug design and optimization of small molecules; experience with beyond-rule-of-five modalities is desirable.
• Experience leveraging modern AI capabilities for design and discovery workstreams.
• Proven ability to influence design and discovery strategy; strong programming and data analysis skills.

Responsibilities

• Apply computational chemistry methods to accelerate drug discovery and design.
• Provide scientific leadership across multiple discovery programs; influence computational design strategies.
• Collaborate with medicinal chemistry and other teams to generate design hypotheses.
• Integrate structural, biological, and ADME/DMPK data to optimize compounds.
• Explore AI-enabled approaches for molecular design, prediction, and decision support.
• Communicate findings to project teams and leadership; mentor junior scientists.

Skills

Interpersonal communication

Presentation skills

Computational chemistry

Python scripting

Data analysis

AI/machine learning awareness

Education

Ph.D. in Computational Chemistry

Tools

Molecular modeling software

Python

AI toolkits

Job description

Vertex seeks a highly motivated computational chemist to join the Computational Drug Design group in Boston, contributing to hit/lead identification and optimization with modeling, cheminformatics, data science, and AI-enabled methods.

This Boston-based, hybrid position requires 3 days per week onsite and offers collaboration across a global Data and Computational Sciences group while mentoring colleagues throughout drug discovery.