MM/GBSA Binding Free Energy Calculations for Baicalein-Protein Interactions

Guoqiang Bian published a dataset on figshare containing MM/GBSA binding free energy calculations for baicalein-protein interactions. The data is stored in an XLSX file sized 10.4 KB. The dataset was last updated on 2026-05-18.

Use Cases

• Compare binding affinities of baicalein across different protein targets based on MM/GBSA energy values.
• Benchmark computational chemistry methods using a specific ligand-protein system.
• Identify high-affinity protein targets for baicalein based on calculated free energy.

Strengths

• File size is precisely 10.4 KB, indicating a focused, non-massive dataset.
• License is clearly specified as CC-BY-4.0, allowing for open reuse.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

figshare

Freshness

Last updated 2026-05-18 17:31:08; freshness should be verified.