Principal Scientist to Associate Director - CADD/Cheminformatics
Structure TherapeuticsShanghai, Shanghai, China
Posted February 10, 2026
Full Time
About the Company
Structure Therapeutics develops life-changing medicines for patients using advanced structure-based and computational drug discovery technology.
Job Description
Join us in advancing cutting-edge science at the intersection of GPCR structural biology, computational chemistry, and data science. This role offers a unique opportunity to leverage proprietary GPCR structural data and contribute directly to industry-leading drug discovery R&D.
Requirements
- Drive the design, development, and deployment of next-generation GPCR structure-based drug design (SBDD) and AI/Cheminformatics technologies
- Create a unified, end-to-end computational workflow integrating co-folding, molecular dynamics (MD), and free-energy perturbation (FEP)
- Develop, optimise, and apply advanced MD methodologies to analyse dynamic cryo-EM datasets
- Build and maintain high-performance GPCR co-folding and FEP pipelines
- Deploy the integrated Co-FoldingâFEP platform across active drug discovery programs
Benefits
- Annual performance incentive bonus
- New hire equity
- Ongoing performance-based equity
- Various benefits offerings