Binding Free Energy Calculations for Lignans and Naproxen with COX-2

Calculated free energy of binding (ΔG) values for the interaction of lignans and naproxen with the COX-2 enzyme. The dataset was created by Montserrath Abigail León Flores and is available under a CC-BY-4.0 license. It was last updated on 2026-05-28.

Use Cases

• Compare ligand binding affinities based on calculated ΔG values.
• Screen potential COX-2 inhibitors based on binding energy scores.
• Validate molecular docking simulations against a reference set of compounds.

Strengths

• Data is openly licensed under CC-BY-4.0.
• File size is 5.5 KB, indicating a focused and manageable dataset.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.

Provenance

Source

Montserrath Abigail León Flores

Collection Method

Likely contains results from computational molecular docking simulations.

Freshness

Last updated 2026-05-28 17:41:30; freshness should be verified.