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

Docking Result

CHEMBL3962719_dpp4

Atoms: 369
Models: 9
Best Energy: -10.128 kcal/mol

Binding Energies:
  • Pose 1: -10.128 kcal/mol
  • Pose 2: -9.348 kcal/mol
  • Pose 3: -9.259 kcal/mol
  • Pose 4: -9.104 kcal/mol
  • Pose 5: -9.062 kcal/mol
  • Pose 6: -9.053 kcal/mol
  • Pose 7: -9.046 kcal/mol
  • Pose 8: -8.978 kcal/mol
  • Pose 9: -8.923 kcal/mol
CHEMBL3962719_dpp4
Energy Plot
RMSD Scatter Plot