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

Docking Result

CHEMBL5881243_dpp4

Atoms: 450
Models: 9
Best Energy: -10.021 kcal/mol

Binding Energies:
  • Pose 1: -10.021 kcal/mol
  • Pose 2: -9.681 kcal/mol
  • Pose 3: -9.402 kcal/mol
  • Pose 4: -9.326 kcal/mol
  • Pose 5: -9.305 kcal/mol
  • Pose 6: -9.292 kcal/mol
  • Pose 7: -9.277 kcal/mol
  • Pose 8: -9.202 kcal/mol
  • Pose 9: -9.18 kcal/mol
CHEMBL5881243_dpp4
Energy Plot
RMSD Scatter Plot