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

Docking Result

CHEMBL191699_dpp4

Atoms: 162
Models: 9
Best Energy: -6.053 kcal/mol

Binding Energies:
  • Pose 1: -6.053 kcal/mol
  • Pose 2: -5.72 kcal/mol
  • Pose 3: -5.706 kcal/mol
  • Pose 4: -5.651 kcal/mol
  • Pose 5: -5.596 kcal/mol
  • Pose 6: -5.577 kcal/mol
  • Pose 7: -5.541 kcal/mol
  • Pose 8: -5.452 kcal/mol
  • Pose 9: -5.432 kcal/mol
CHEMBL191699_dpp4
Energy Plot
RMSD Scatter Plot