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

Docking Result

CHEMBL230840_dpp4

Atoms: 324
Models: 9
Best Energy: -8.559 kcal/mol

Binding Energies:
  • Pose 1: -8.559 kcal/mol
  • Pose 2: -8.145 kcal/mol
  • Pose 3: -7.908 kcal/mol
  • Pose 4: -7.872 kcal/mol
  • Pose 5: -7.764 kcal/mol
  • Pose 6: -7.664 kcal/mol
  • Pose 7: -7.518 kcal/mol
  • Pose 8: -7.483 kcal/mol
  • Pose 9: -7.453 kcal/mol
CHEMBL230840_dpp4
Energy Plot
RMSD Scatter Plot