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

Docking Result

CHEMBL96666_dpp4

Atoms: 144
Models: 9
Best Energy: -6.02 kcal/mol

Binding Energies:
  • Pose 1: -6.02 kcal/mol
  • Pose 2: -5.57 kcal/mol
  • Pose 3: -5.488 kcal/mol
  • Pose 4: -5.437 kcal/mol
  • Pose 5: -5.361 kcal/mol
  • Pose 6: -5.348 kcal/mol
  • Pose 7: -5.216 kcal/mol
  • Pose 8: -5.138 kcal/mol
  • Pose 9: -5.096 kcal/mol
CHEMBL96666_dpp4
Energy Plot
RMSD Scatter Plot