sk Skill · K-Dense-AI
binding-site-analysis
Decide whether a protein has a pocket worth targeting, and where it is, before committing to a docking or design campaign. Use this skill to run fpocket cavity detection, rank cavities by druggability and volume, compare apo and holo conformations to spot induced fit, identify allosteric and cryptic cavities that only open in simulation, and convert a chosen cavity into the search box coordinates a docking run…
Open on skills.sh ↗read 2026-09-17
- installs 8w
- 0
- 30-day movement
- starts with the next reading
- Related entries
- 1
- Connections
- 1
bashPython
- Host repository
- K-Dense-AI/drug-discovery-agent-skills
- Version
- 1.0
- Allowed tools
- Read Write Edit Bash
- Compatible with
- MIT) on PATH. Cryptic-cavity workflows additionally need a molecular dynamics engine, no GPU is required for static detection.
- Licence
- MIT
- Host stars
- 30
- Host language
- Python