buildRI-Score Input
extensionUser guide
RI-Score is machine-learning based approach to predict a binding energy (in kcal/mol) of a complex
Your INPUT includes
- Protein in PDB format
- Ligand in SDF or MOL2 format
- Notice that: your protein and ligand have already formed a complex
Your OUTPUT includes
- Predicted binding energy in kcal/mol
local_libraryReferences
1 Duc D Nguyen, Tian Xiao, Menglun Wang and Guo-Wei Wei, Rigidity strengthening: A mechanism for protein-ligand binding, Journal of Chemical Information and Modeling, 57, 1715-1721 (2017) Read
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