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

Docking Result

CHEMBL3618039_dpp4

Atoms: 216
Models: 9
Best Energy: -8.071 kcal/mol

Binding Energies:
  • Pose 1: -8.071 kcal/mol
  • Pose 2: -7.65 kcal/mol
  • Pose 3: -7.285 kcal/mol
  • Pose 4: -7.193 kcal/mol
  • Pose 5: -7.089 kcal/mol
  • Pose 6: -7.052 kcal/mol
  • Pose 7: -7.013 kcal/mol
  • Pose 8: -6.927 kcal/mol
  • Pose 9: -6.745 kcal/mol
CHEMBL3618039_dpp4
Energy Plot
RMSD Scatter Plot