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

Docking Result

CHEMBL230601_dpp4

Atoms: 279
Models: 9
Best Energy: -6.201 kcal/mol

Binding Energies:
  • Pose 1: -6.201 kcal/mol
  • Pose 2: -6.065 kcal/mol
  • Pose 3: -5.881 kcal/mol
  • Pose 4: -5.708 kcal/mol
  • Pose 5: -5.62 kcal/mol
  • Pose 6: -5.574 kcal/mol
  • Pose 7: -5.547 kcal/mol
  • Pose 8: -5.505 kcal/mol
  • Pose 9: -5.451 kcal/mol
CHEMBL230601_dpp4
Energy Plot
RMSD Scatter Plot