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

Docking Result

CHEMBL3675620_dpp4

Atoms: 387
Models: 9
Best Energy: -9.428 kcal/mol

Binding Energies:
  • Pose 1: -9.428 kcal/mol
  • Pose 2: -9.266 kcal/mol
  • Pose 3: -9.146 kcal/mol
  • Pose 4: -9.102 kcal/mol
  • Pose 5: -8.981 kcal/mol
  • Pose 6: -8.872 kcal/mol
  • Pose 7: -8.843 kcal/mol
  • Pose 8: -8.733 kcal/mol
  • Pose 9: -8.663 kcal/mol
CHEMBL3675620_dpp4
Energy Plot
RMSD Scatter Plot