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Computational Protein Design Expert
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About the Role
We are seeking experienced Computational Protein Design experts to explore and evaluate advanced generative AI approaches for protein engineering as part of a frontier AI scientific evaluation initiative. In this role, you will develop challenging scientific evaluation tasks involving de novo protein generation, diffusion-based structure design, protein binder development, and sequence–structure optimization. You will independently conduct computational experiments, evaluate AI-generated protein designs, and develop reproducible benchmarks and technical proof-of-concept results to assess the capabilities and limitations of generative AI models in protein engineering.
What You'll Do
- Design scientifically rigorous evaluation tasks involving de novo protein design, target-conditioned binder generation, motif scaffolding, and sequence–structure optimization.
- Develop and execute computational protein design workflows using generative AI models, diffusion-based approaches, and established protein engineering tools.
- Define task inputs, biological constraints, expected outputs, evaluation criteria, and reproducible experimental protocols.
- Evaluate AI-generated protein sequences and structures for folding confidence, structural stability predictions, geometric validity, interface quality, novelty, and biological plausibility.
- Analyze protein folding, sequence–structure relationships, and protein–protein interactions to assess the quality and feasibility of generated designs.
- Develop objective scoring rubrics, reference analyses, and computational validation methods to evaluate model performance.
- Identify model limitations, failure cases, unrealistic structural predictions, and potential weaknesses in generated protein designs.
- Distinguish computational predictions from experimentally validated results and document scientific assumptions and limitations.
You're a Good Fit If You
- Required skills: Python
- Ph.D. (ongoing or completed) in Computational Biology, Structural Biology, Bioinformatics, Biochemistry, Protein Engineering, or a closely related discipline.
- Hands-on experience in at least one major area: computational protein design, protein structure prediction, molecular modeling, or protein engineering.
- Strong understanding of protein folding, protein structure–function relationships, molecular interactions, and sequence–structure optimization.
- Practical familiarity with computational protein design and structural analysis tools such as RFdiffusion, ProteinMPNN, AlphaFold, Rosetta, PyMOL, or ChimeraX.
- Strong programming skills in Python, with experience developing or executing computational biology workflows.
- Experience working with protein sequence and structural data formats such as FASTA, PDB, and mmCIF.
- Ability to evaluate protein structures, interpret computational predictions, and assess the scientific validity of generated designs.
Role Highlights
Pay & Payout
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