SBL Virus Protein Docking Results With PDB Files

Molecular docking results for SBL virus protein structures include PDB coordinate files, PyMOL visualization sessions, and docking reports. The 46.7 MB collection was authored by Yao Xiong and last updated in April 2026.

Use Cases

• Validate docking poses by comparing PyMOL session (PSE) visualizations with XML docking reports.
• Benchmark docking algorithms using provided Protein Data Bank (PDB) structure files.
• Generate training data for ML scoring functions from SDF ligand files and PNG result images.

Strengths

• Multimodal data includes PDB, SDF, PNG, and PSE files for a complete docking workflow.
• Released under a permissive CC-BY-4.0 license for open reuse and modification.

Limitations

• Small dataset at 46.7 MB, limiting the number of protein-ligand complexes available.
• Unknown row count for docking results prevents assessment of statistical power.
• Focus is restricted to SBL virus protein structures, limiting generalizability.

Provenance

Source

figshare, authored by Yao Xiong.

Collection Method

Results from molecular docking simulations against viral protein structures.

Freshness

Last updated in April 2026, indicating recent curation.