Principal Scientist, Computational Chemistry

Scorpion Therapeutics; United States; On-site; USD 203,000 - 236,000; Full time

Job summary

Scorpion Therapeutics seeks a senior Computational Chemistry leader to guide small-molecule design using structure- and ligand-based modeling, with ML-driven workflows to support data-guided decisions toward clinical candidates.

The role requires 12+ years in biotech/pharma, hands-on MOE/Schrödinger experience, and leadership across diverse teams. You will mentor chemists and coordinate with Discovery Biology and Technologies, accelerating hit-finding through lead optimization.

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

Responsibilities

• 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.

Skills

MOE

Schrödinger tools

Cloud computing

FEP

AlphaFold2

Python

R

Education

Ph.D. in Computational Chemistry

Tools

MOE

Schrödinger tools

Job description

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).