📊 Knowledge Base Statistics
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Terpenes
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Proteins
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Interactions
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Avg Binding (kcal/mol)
🧬 Terpene-Protein Interactions Database
| Terpene | SMILES | MW (Da) | LogP | Protein | Family | Binding Affinity (kcal/mol) | Confidence | Therapeutic Use | Mechanism |
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🔬 About This Database
This comprehensive database contains - terpene-protein interaction data derived from molecular docking simulations, literature mining, and experimental studies. The data includes binding affinities, molecular properties, protein families, and therapeutic applications.
Data Sources:
- Molecular Docking: Computational predictions using AutoDock Vina and similar tools [PubMed]
- Experimental Data: Binding assays and structural studies from literature [UniProt]
- Protein Databases: UniProt, PDB, and other structural databases [PDB]
- Therapeutic Information: DrugBank, ChEMBL, and clinical trial data [DrugBank]
Data Quality:
- High Confidence (≥0.8): - interactions with experimental validation or multiple computational predictions
- Medium Confidence (0.5-0.8): - interactions with single computational prediction or limited experimental data
- Low Confidence (<0.5): - interactions with preliminary predictions or theoretical calculations