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

Docking Result

CHEMBL4169845_dpp4

Atoms: 360
Models: 9
Best Energy: -9.69 kcal/mol

Binding Energies:
  • Pose 1: -9.69 kcal/mol
  • Pose 2: -9.506 kcal/mol
  • Pose 3: -9.006 kcal/mol
  • Pose 4: -8.783 kcal/mol
  • Pose 5: -8.737 kcal/mol
  • Pose 6: -8.702 kcal/mol
  • Pose 7: -8.526 kcal/mol
  • Pose 8: -8.443 kcal/mol
  • Pose 9: -8.376 kcal/mol
CHEMBL4169845_dpp4
Energy Plot
RMSD Scatter Plot