DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL1243403_dpp4

Atoms: 252
Models: 9
Best Energy: -8.711 kcal/mol

Binding Energies:
  • Pose 1: -8.711 kcal/mol
  • Pose 2: -8.548 kcal/mol
  • Pose 3: -8.346 kcal/mol
  • Pose 4: -8.296 kcal/mol
  • Pose 5: -8.199 kcal/mol
  • Pose 6: -8.038 kcal/mol
  • Pose 7: -8.007 kcal/mol
  • Pose 8: -7.934 kcal/mol
  • Pose 9: -7.89 kcal/mol
CHEMBL1243403_dpp4
Energy Plot
RMSD Scatter Plot