Binding Site Analysis
K-Dense-AI/drug-discovery-agent-skillsDecide 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 needs. Also trigger on fpocket, cavity detection, druggability score, alpha sphere, cryptic pocket, allosteric site, pocket volume, hotspot mapping, or undruggable target assessment.
At a glance
This skill is for Marketing and helps you identify druggable protein pockets, assess binding site volume and geometry, and detect cryptic and allosteric cavities.
git clone --depth 1 https://github.com/K-Dense-AI/drug-discovery-agent-skills
cp -r drug-discovery-agent-skills/skills/binding-site-analysis ~/.claude/skills/binding-site-analysis
FpocketCavity DetectionDruggabilityProtein Structuredrug-discoverycomputational-biology
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