TML Binding Affinity Prediction
Predictor for protein-ligand binding affinity based on persistent homology and machine learning.
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User Guide
Input
(The 3D structures of protein and ligand in bound position.)
- Protein File: The protein file in PDB format.
- Ligand File: The ligand file in mol2 format.
- Example Input Files : Download Here
- Through Email: Once the job is done, an email with a download link will be sent.
Reference
[1] Zixuan Cang and Guowei Wei. (2017) Integration of element specific persistent homology and machine learning for protein-ligand binding affinity prediction, Int. J. Numer. Meth. Biomed. Engng., doi: 10.1002/cnm.2914.