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

Docking Result

CHEMBL237997_dpp4

Atoms: 306
Models: 9
Best Energy: -8.422 kcal/mol

Binding Energies:
  • Pose 1: -8.422 kcal/mol
  • Pose 2: -8.208 kcal/mol
  • Pose 3: -7.931 kcal/mol
  • Pose 4: -7.844 kcal/mol
  • Pose 5: -7.733 kcal/mol
  • Pose 6: -7.713 kcal/mol
  • Pose 7: -7.636 kcal/mol
  • Pose 8: -7.394 kcal/mol
  • Pose 9: -7.35 kcal/mol
CHEMBL237997_dpp4
Energy Plot
RMSD Scatter Plot