FemA Protein Docking Scores with Phytocompounds

Docking scores from AutodockVina for phytocompounds against the FemA protein of Staphylococcus aureus. The dataset was published by Md. Nazmussakib Shuvo and was last updated in April 2026. It is a small dataset, approximately 5.5 KB in size, stored in an XLS file.

Use Cases

• Rank phytocompounds by their docking score to identify potential FemA inhibitors.
• Analyze the relationship between compound structure and docking affinity for FemA.
• Use docking scores as a feature in machine learning models to predict compound activity against S. aureus.

Strengths

• Data is recent, with a last update in April 2026.
• Docking scores are generated using a standard tool, AutodockVina.

Limitations

• The dataset is very small at 5.5 KB, indicating a limited number of compounds or data points.
• The number of rows and specific compound identifiers are unknown, limiting reproducibility and analysis scope.

Provenance

Source

Md. Nazmussakib Shuvo via figshare.

Collection Method

Generated via AutodockVina molecular docking simulations.

Freshness

Last updated 2026-04-07.