A low-cost docking pipeline aimed at diseases too rare for commercial pipelines.
Overview
Rare diseases rarely attract commercial drug-discovery pipelines. This project scopes a low-cost molecular docking pipeline aimed specifically at compounds relevant to rare conditions.
Objectives
- Scope a minimal-cost docking pipeline using open tools
- Identify 3-5 target rare diseases with tractable structures
Research questions
Can an open-source docking pipeline get close enough to commercial accuracy to usefully prioritize candidates for rare diseases?
Methodology
To be defined once funding allows a pilot.
Current progress
Proposal stage — paused pending funding.
Future work
Secure a funding partner, then run a pilot on 1-2 target diseases.