Data Science & Analytics
Bio Virtual Screening
Performs structure-based virtual screening using AutoDock Vina 1.2 for molecular docking. Prepares receptor PDBQT files, generates ligand conformers, defines binding site boxes, and ranks compounds by predicted binding affinity. Use when screening chemical libraries against a protein structure to find potential binders.
- Publisher / source
- FreedomIntelligence/OpenClaw-Medical-Skills (found on GitHub top repositories)
- Upstream record
- FreedomIntelligence/OpenClaw-Medical-Skills
- Version
- Version 1
- Published
- Publication review
- Approved for publication · recorded passed scan 2026-11-06
- Content fingerprint
39c62f661359f44d3243a8431524cf097e0d01508c74389a84e319edb46896fb