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

Docking Result

CHEMBL3616894_dpp4

Atoms: 351
Models: 9
Best Energy: -9.322 kcal/mol

Binding Energies:
  • Pose 1: -9.322 kcal/mol
  • Pose 2: -9.163 kcal/mol
  • Pose 3: -9.064 kcal/mol
  • Pose 4: -8.463 kcal/mol
  • Pose 5: -8.291 kcal/mol
  • Pose 6: -8.142 kcal/mol
  • Pose 7: -8.129 kcal/mol
  • Pose 8: -7.889 kcal/mol
  • Pose 9: -7.82 kcal/mol
CHEMBL3616894_dpp4
Energy Plot
RMSD Scatter Plot