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

Docking Result

CHEMBL406201_dpp4

Atoms: 198
Models: 9
Best Energy: -6.821 kcal/mol

Binding Energies:
  • Pose 1: -6.821 kcal/mol
  • Pose 2: -6.462 kcal/mol
  • Pose 3: -6.45 kcal/mol
  • Pose 4: -6.415 kcal/mol
  • Pose 5: -6.396 kcal/mol
  • Pose 6: -6.375 kcal/mol
  • Pose 7: -6.357 kcal/mol
  • Pose 8: -6.356 kcal/mol
  • Pose 9: -6.265 kcal/mol
CHEMBL406201_dpp4
Energy Plot
RMSD Scatter Plot