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

Docking Result

CHEMBL3402125_dpp4

Atoms: 369
Models: 9
Best Energy: -8.55 kcal/mol

Binding Energies:
  • Pose 1: -8.55 kcal/mol
  • Pose 2: -8.36 kcal/mol
  • Pose 3: -8.321 kcal/mol
  • Pose 4: -8.319 kcal/mol
  • Pose 5: -8.203 kcal/mol
  • Pose 6: -8.202 kcal/mol
  • Pose 7: -8.083 kcal/mol
  • Pose 8: -8.053 kcal/mol
  • Pose 9: -8.005 kcal/mol
CHEMBL3402125_dpp4
Energy Plot
RMSD Scatter Plot