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

Docking Result

CHEMBL238202_dpp4

Atoms: 252
Models: 9
Best Energy: -8.617 kcal/mol

Binding Energies:
  • Pose 1: -8.617 kcal/mol
  • Pose 2: -8.481 kcal/mol
  • Pose 3: -8.402 kcal/mol
  • Pose 4: -8.291 kcal/mol
  • Pose 5: -8.037 kcal/mol
  • Pose 6: -7.99 kcal/mol
  • Pose 7: -7.957 kcal/mol
  • Pose 8: -7.851 kcal/mol
  • Pose 9: -7.787 kcal/mol
CHEMBL238202_dpp4
Energy Plot
RMSD Scatter Plot