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

Docking Result

CHEMBL2385270_dpp4

Atoms: 225
Models: 9
Best Energy: -8.364 kcal/mol

Binding Energies:
  • Pose 1: -8.364 kcal/mol
  • Pose 2: -8.242 kcal/mol
  • Pose 3: -8.065 kcal/mol
  • Pose 4: -8.016 kcal/mol
  • Pose 5: -7.943 kcal/mol
  • Pose 6: -7.927 kcal/mol
  • Pose 7: -7.882 kcal/mol
  • Pose 8: -7.776 kcal/mol
  • Pose 9: -7.717 kcal/mol
CHEMBL2385270_dpp4
Energy Plot
RMSD Scatter Plot