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

Docking Result

CHEMBL3675634_dpp4

Atoms: 360
Models: 9
Best Energy: -9.729 kcal/mol

Binding Energies:
  • Pose 1: -9.729 kcal/mol
  • Pose 2: -9.384 kcal/mol
  • Pose 3: -9.333 kcal/mol
  • Pose 4: -9.158 kcal/mol
  • Pose 5: -9.148 kcal/mol
  • Pose 6: -9.083 kcal/mol
  • Pose 7: -8.792 kcal/mol
  • Pose 8: -8.752 kcal/mol
  • Pose 9: -8.75 kcal/mol
CHEMBL3675634_dpp4
Energy Plot
RMSD Scatter Plot