buildRI-Score Input

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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


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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