MM/GBSA and MM/PBSA Binding Free Energy Components for MMP-9 Complexes

MM/GBSA and MM/PBSA binding free energy components (kcal/mol) for the co-crystal ligand and CHEMBL3990662 complexes with MMP-9. The dataset was authored by Jian Zhang and published on figshare under a CC-BY-4.0 license. It was last updated on May 14, 2026.

Use Cases

• Compare MM/GBSA and MM/PBSA energy decomposition results based on the reported kcal/mol components.
• Benchmark computational binding affinity predictions for MMP-9 inhibitors based on the provided free energy data.
• Analyze the energetic contributions of specific molecular interactions for the co-crystal ligand and CHEMBL3990662 complexes.

Strengths

• Data is published under a permissive CC-BY-4.0 license.
• File size is 9.5 KB, indicating a focused and specific 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

figshare

Freshness

Last updated 2026-05-14 17:33:36; freshness should be verified.