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

Docking Result

CHEMBL230283_dpp4

Atoms: 288
Models: 9
Best Energy: -6.386 kcal/mol

Binding Energies:
  • Pose 1: -6.386 kcal/mol
  • Pose 2: -5.849 kcal/mol
  • Pose 3: -5.809 kcal/mol
  • Pose 4: -5.794 kcal/mol
  • Pose 5: -5.741 kcal/mol
  • Pose 6: -5.727 kcal/mol
  • Pose 7: -5.71 kcal/mol
  • Pose 8: -5.63 kcal/mol
  • Pose 9: -5.58 kcal/mol
CHEMBL230283_dpp4
Energy Plot
RMSD Scatter Plot