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

Docking Result

CHEMBL2178967_dpp4

Atoms: 315
Models: 9
Best Energy: -9.17 kcal/mol

Binding Energies:
  • Pose 1: -9.17 kcal/mol
  • Pose 2: -8.92 kcal/mol
  • Pose 3: -8.707 kcal/mol
  • Pose 4: -8.68 kcal/mol
  • Pose 5: -8.504 kcal/mol
  • Pose 6: -8.489 kcal/mol
  • Pose 7: -8.45 kcal/mol
  • Pose 8: -8.25 kcal/mol
  • Pose 9: -8.162 kcal/mol
CHEMBL2178967_dpp4
Energy Plot
RMSD Scatter Plot