Tool Catalog
ΔG Prediction
Antibody Function Prediction
2025-08-11
Try Now
DG Prediction
1 Introduction
Using PPB-Affinity1, currently the largest protein-protein binding affinity database, as training data, the magnitude of protein complex binding affinity (ΔG) is predicted using invariant point notation based on geometric deep learning techniques through three-dimensional characterisation of protein complexes.
2 Parameters
- PDB File (required): Upload a PDB file of a protein complex.
- Receiver Chain (required): Specify the chain number belonging to the receptor in the PDB file.
- Ligand Chain (required): Specify the chain number belonging to the ligand in the PDB file.
- Mutation List (optional): Enter a mutation string, for example, "FP2Y" indicates that position 2 on chain P has mutated from F to Y. If there are multiple mutations at the same time, separate them with commas and only support one variant input.
3 Results Explanation
| column name | description |
|---|---|
| ID | The input PDB file name, filled in Receiver Chain, Ligand Chain, and Mutation List. |
| DG Pred | The affinity value predicted by the model, in kcal/mol. |
| Kd | The affinity value predicted by the model, in mol/L. |
4 Reference
[1] Liu, H., Chen, P., Zhai, X. et al. PPB-Affinity: Protein-Protein Binding Affinity dataset for AI-based protein drug discovery. Sci Data 11, 1316 (2024). https://doi.org/10.1038/s41597-024-03997-4