Computational Structural Biology
Prediction and analysis of three-dimensional protein structures from amino acid sequences.
Scientific Framework
The computational biology foundations that power BE-PROTECT analytical capabilities.
Prediction and analysis of three-dimensional protein structures from amino acid sequences.
Characterization of protein regions lacking stable 3D structure - a critical component of pathogen biology.
Prediction and analysis of physical and functional interactions at the pathogen-host interface.
Assignment of biological function to uncharacterized proteins using ML beyond sequence homology.
Computational design of scaffolded protein domains and de novo minibinders for biosensing and therapeutic candidates.
AI & Computational Pipeline
| Stage | Subtitle | Output |
|---|---|---|
| 1. Genomic Acquisition | Data ingestion & quality control | Clean proteome sequences |
| 2. Structural Prediction | AI-driven protein modeling | 3D models with annotations |
| 3. Flexible Protein Analysis | Disorder & conformational dynamics | Flexibility maps and disorder annotations |
| 4. Molecular Intelligence | Interaction networks & threat assessment | Threat and vulnerability profiles |
| 5. Countermeasure Discovery | AI-designed molecular defenses | Ranked countermeasure candidates |
| 6. Operational Output | Decision support and intelligence products | Deployable threat briefings |
Novel pathogen characterization, engineered bioagent assessment, pandemic preparedness, biosurveillance intelligence, and forensic biodefense.
GPU/HPC-enabled infrastructure, secure processing environments, modular software stack, and operational deployment patterns.
Operational pilot scenarios validating rapid analysis, biosensor generation, biosurveillance integration, and exercise support.
Publications & Outputs
The BE-PROTECT project is currently in its early phase. Publications and scientific outputs will be listed as they become available.