Principal Scientist, Computational Chemistry

In this role you will:
- Lead efforts focused on molecular modeling, structure-based drug design and generative design
- Co-develop augmented computational strategy for hit-finding through lead optimization
- Foster innovation by building, integrating, and applying computational tools and workflows
- Provide hands-on computational chemistry guidance and support for drug discovery projects
- Guide innovation around small molecule computational design and optimization
- Collaborate closely with Medicinal Chemistry, Discovery Biology, and Discovery Technologies
- Establish Computational Chemistry strategy, leveraging CROs and collaborators
- Mentor medicinal chemists and guide programs from initial target validation through candidate identification

Responsibilities include utilizing structure-based and ligand-based design and modeling; leveraging ML technologies (QSAR, de novo design tools, reaction prediction) to build robust workflows that support data-driven compound design decisions and improve compound quality toward the clinic.

Qualifications:
- Ph.D. in Computational Chemistry (or related discipline emphasizing Computational Chemistry)
- 12+ years in biotech/pharma with demonstrated impact on project progression
- Strong hands-on computational chemistry/modeling skills; experience with MOE, Schrödinger tools, cloud computing, FEP, and AlphaFold2
- Proven leadership in driving teams toward common scientific goals in drug discovery
- Strong communication/interpersonal skills and collaborative project/team experience
- Foundational understanding of medicinal chemistry and DMPK

Additional experience (highly desirable):
- Cheminformatics/data analysis tools; Python and/or R
- AI for computational chemistry (hit-finding through lead optimization) and familiarity with AI-driven drug discovery

Compensation: U.S. pay range $202,500–$236,250/year (base offered may vary by factors noted in posting).