Free SKILL.md scraped from GitHub. Clone the repo or copy the file directly into your Claude Code skills directory.
npx versuz@latest install a5c-ai-babysitter-library-specializations-domains-science-bioinformatics-skills-augit clone https://github.com/a5c-ai/babysitter.gitcp babysitter/SKILL.MD ~/.claude/skills/a5c-ai-babysitter-library-specializations-domains-science-bioinformatics-skills-au/SKILL.md---
name: autodock-docking-engine
description: AutoDock molecular docking skill for small molecule binding prediction and virtual screening
allowed-tools:
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metadata:
version: "1.0"
category: bioinformatics
tags:
- structural-biology
- docking
- virtual-screening
- drug-discovery
---
# AutoDock Docking Engine Skill
## Purpose
Provide AutoDock molecular docking for small molecule binding prediction and virtual screening.
## Capabilities
- Receptor and ligand preparation
- Grid generation and docking
- Scoring function evaluation
- Pose clustering and ranking
- Batch virtual screening
- Binding affinity prediction
## Usage Guidelines
- Prepare receptor and ligand structures properly
- Define appropriate grid box dimensions
- Validate docking protocol with known binders
- Cluster poses by binding mode
- Screen compound libraries efficiently
- Document docking parameters
## Dependencies
- AutoDock Vina
- GOLD
- Glide
- rDock
## Process Integration
- Molecular Docking and Virtual Screening (molecular-docking)
- Protein Structure Prediction (protein-structure-prediction)