AI & ML interests
None defined yet.
Recent Activity
Oxford Protein Informatics Group (OPIG)
Computational research at the interface of protein science, immunology, and drug discovery
We are a research group led by Charlotte Deane in the Department of Statistics, University of Oxford. Our work combines machine learning, structural biology, and cheminformatics to tackle fundamental problems in protein structure, antibody engineering, and small molecule drug design.
Research Areas
Immunoinformatics — Antibody and T-cell receptor structure prediction, developability assessment, repertoire analysis, and antigen binding.
Protein Structure — Structure prediction, conformational dynamics, protein folding, and language models for genomic and proteomic sequences.
Small Molecules — Structure-based drug design, molecular docking, generative models for drug-like molecules, and binding affinity prediction.
Key Open-Source Tools & Databases
| Tool | Description |
|---|---|
| SAbDab | Structural Antibody Database — all antibody structures from the PDB, updated weekly |
| OAS | Observed Antibody Space — billions of antibody sequences from immune repertoire sequencing studies |
| STCRDab | Structural T-Cell Receptor Database |
| CoV-AbDab | Coronavirus Antibody Database — antibodies targeting SARS-CoV-2 and related coronaviruses |
| AbLang | Antibody language model for sequence infilling and representation |
| ANARCI | Antibody and TCR sequence numbering and annotation |
| ABlooper | Fast, accurate CDR loop structure prediction |
| Paragraph | Graph neural network-based antibody paratope prediction |
| MolSnapper | Conditioning diffusion models for structure-based drug design |
| STRIFE | Fragment elaboration using pharmacophoric constraints |
| CaLM | Codon-aware language model for protein engineering |
All of our open-source code lives at github.com/oxpig.
Get Involved
- 🌐 Website: opig.stats.ox.ac.uk
- 📝 Blog: blopig.com/blog — tutorials, methods explainers, and research updates
- 🦋 Bluesky: @opig.stats.ox.ac.uk
- 🐦 X/Twitter: @OPIGlets
- 💼 LinkedIn: Oxford Protein Informatics Group
Interested in a DPhil or postdoc? See our current research and get in touch.