Senior Applied Scientist developing production - grade language generation systems with a focus on neurosymbolic AI at UnlikelyAI. Collaborating with a world - class team on innovative AI technologies.
SI
Hybrid Principal Scientist – Associate Director, CADD/Cheminformatics
Posted last month
About the role
- Principal Scientist driving cutting-edge GPCR structure-based drug discovery for chronic diseases in Shanghai. Collaborating within interdisciplinary teams using advanced computational methods.
Responsibilities
- Drive the design, development, and deployment of next-generation GPCR structure-based drug design (SBDD)
- 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-Folding–FEP platform across active drug discovery programs
Requirements
- PhD degree (or equivalent) in a scientific or life sciences discipline
- Strong understanding of chemical structures and biological/drug discovery concepts
- Demonstrated expertise in protein–ligand structure modeling, including co-folding methods
- Strong practical experience in MD simulations (setup, parameterization, production, analysis)
- Hands-on experience with Free Energy Perturbation/related free-energy simulation techniques in biotech/pharma
- Hands-on experience with RDKit or equivalent cheminformatics libraries
- Proficiency with modern CADD software platforms (e.g., Schrödinger, FEP+, or equivalents)
- Strong analytical and problem-solving abilities
- Excellent teamwork, communication, and collaboration skills
Benefits
- Annual performance incentive bonus
- New hire equity
- Ongoing performance-based equity
Job title
Job type
Experience level
Salary
Not specified
Degree requirement
Location requirements
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