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

Docking Result

CHEMBL3425752_dpp4

Atoms: 333
Models: 9
Best Energy: -9.133 kcal/mol

Binding Energies:
  • Pose 1: -9.133 kcal/mol
  • Pose 2: -9.082 kcal/mol
  • Pose 3: -8.967 kcal/mol
  • Pose 4: -8.759 kcal/mol
  • Pose 5: -8.592 kcal/mol
  • Pose 6: -8.536 kcal/mol
  • Pose 7: -8.408 kcal/mol
  • Pose 8: -8.392 kcal/mol
  • Pose 9: -8.155 kcal/mol
CHEMBL3425752_dpp4
Energy Plot
RMSD Scatter Plot