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

Docking Result

CHEMBL2206469_dpp4

Atoms: 342
Models: 9
Best Energy: -9.576 kcal/mol

Binding Energies:
  • Pose 1: -9.576 kcal/mol
  • Pose 2: -9.229 kcal/mol
  • Pose 3: -9.185 kcal/mol
  • Pose 4: -9.123 kcal/mol
  • Pose 5: -9.064 kcal/mol
  • Pose 6: -9.022 kcal/mol
  • Pose 7: -8.981 kcal/mol
  • Pose 8: -8.85 kcal/mol
  • Pose 9: -8.798 kcal/mol
CHEMBL2206469_dpp4
Energy Plot
RMSD Scatter Plot