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

Docking Result

CHEMBL3912125_dpp4

Atoms: 315
Models: 9
Best Energy: -9.297 kcal/mol

Binding Energies:
  • Pose 1: -9.297 kcal/mol
  • Pose 2: -8.875 kcal/mol
  • Pose 3: -8.576 kcal/mol
  • Pose 4: -8.564 kcal/mol
  • Pose 5: -8.267 kcal/mol
  • Pose 6: -8.255 kcal/mol
  • Pose 7: -8.184 kcal/mol
  • Pose 8: -7.915 kcal/mol
  • Pose 9: -7.863 kcal/mol
CHEMBL3912125_dpp4
Energy Plot
RMSD Scatter Plot