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

Docking Result

CHEMBL6164548_dpp4

Atoms: 396
Models: 9
Best Energy: -10.211 kcal/mol

Binding Energies:
  • Pose 1: -10.211 kcal/mol
  • Pose 2: -9.948 kcal/mol
  • Pose 3: -9.74 kcal/mol
  • Pose 4: -9.629 kcal/mol
  • Pose 5: -9.451 kcal/mol
  • Pose 6: -9.438 kcal/mol
  • Pose 7: -9.368 kcal/mol
  • Pose 8: -9.368 kcal/mol
  • Pose 9: -9.312 kcal/mol
CHEMBL6164548_dpp4
Energy Plot
RMSD Scatter Plot