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

Docking Result

CHEMBL434960_dpp4

Atoms: 198
Models: 9
Best Energy: -6.206 kcal/mol

Binding Energies:
  • Pose 1: -6.206 kcal/mol
  • Pose 2: -6.205 kcal/mol
  • Pose 3: -6.136 kcal/mol
  • Pose 4: -6.048 kcal/mol
  • Pose 5: -6.038 kcal/mol
  • Pose 6: -5.83 kcal/mol
  • Pose 7: -5.825 kcal/mol
  • Pose 8: -5.778 kcal/mol
  • Pose 9: -5.743 kcal/mol
CHEMBL434960_dpp4
Energy Plot
RMSD Scatter Plot