Director of Computational Chemistry & Molecular Design

Socket.dev; Cambridge (MA); On-site; USD 176,000 - 294,300; Full time

Benefits offered by this job

Restaurant d'entreprise

Indemnités de stage/alternance

Job summary

Flagship Pioneering is seeking a Director/Senior Director, Computational Chemistry to spearhead the design and optimization of heterobifunctional small molecules. This leader will work closely with medicinal chemists, structural biologists, and project teams to develop and apply computational tools to guide molecular design decisions across the design–build–test–learn cycle.

The successful candidate will drive molecular ideation, property optimization, and compound prioritization across the

Qualifications

• PhD in Chemistry or related field with 10+ years of industry experience and leadership.
• Deep expertise in computational medicinal chemistry and structure-based drug design.
• Ability to drive synthetic actionable designs and mentor scientists.
• Experience using cheminformatics tools for design and prioritization.
• Strong leadership and communication skills to influence senior stakeholders.
• Prior work on heterobifunctional molecules (PROTACs) preferred.
• Familiarity with ADME challenges for large, flexible molecules.

Responsibilities

• Define and drive the design of heterobifunctional small molecules, balancing target engagement and properties.
• Lead cheminformatics strategy and internal computational workflows.
• Evaluate developability and lead-priority frameworks for portfolios.
• Advance structure-based modeling and AI/ML methods to inform design.
• Collaborate across chemistry, biology, and in vivo pharmacology and mentor teams.

Skills

Computational Chemistry

Structure-based Design

Leadership

Cheminformatics Tools

Cross-functional

PROTACs (preferred)

Education

PhD in Chemistry or related

Tools

Cheminformatics software

Job description

Flagship Pioneering is seeking a Director/Senior Director, Computational Chemistry to spearhead the design and optimization of heterobifunctional small molecules. This leader will work closely with medicinal chemists, structural biologists, and project teams to develop and apply computational tools to guide molecular design decisions across the design–build–test–learn cycle.

The successful candidate will drive molecular ideation, property optimization, and compound prioritization across the