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

Docking Result

CHEMBL3675619_dpp4

Atoms: 315
Models: 9
Best Energy: -8.32 kcal/mol

Binding Energies:
  • Pose 1: -8.32 kcal/mol
  • Pose 2: -8.193 kcal/mol
  • Pose 3: -7.93 kcal/mol
  • Pose 4: -7.837 kcal/mol
  • Pose 5: -7.791 kcal/mol
  • Pose 6: -7.74 kcal/mol
  • Pose 7: -7.617 kcal/mol
  • Pose 8: -7.6 kcal/mol
  • Pose 9: -7.432 kcal/mol
CHEMBL3675619_dpp4
Energy Plot
RMSD Scatter Plot