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

Docking Result

CHEMBL5629890_dpp4

Atoms: 288
Models: 9
Best Energy: -9.127 kcal/mol

Binding Energies:
  • Pose 1: -9.127 kcal/mol
  • Pose 2: -8.957 kcal/mol
  • Pose 3: -8.838 kcal/mol
  • Pose 4: -8.753 kcal/mol
  • Pose 5: -8.704 kcal/mol
  • Pose 6: -8.681 kcal/mol
  • Pose 7: -8.658 kcal/mol
  • Pose 8: -8.646 kcal/mol
  • Pose 9: -8.546 kcal/mol
CHEMBL5629890_dpp4
Energy Plot
RMSD Scatter Plot