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

Docking Result

CHEMBL5980526_dpp4

Atoms: 333
Models: 9
Best Energy: -9.952 kcal/mol

Binding Energies:
  • Pose 1: -9.952 kcal/mol
  • Pose 2: -9.788 kcal/mol
  • Pose 3: -9.668 kcal/mol
  • Pose 4: -9.127 kcal/mol
  • Pose 5: -9.001 kcal/mol
  • Pose 6: -8.876 kcal/mol
  • Pose 7: -8.654 kcal/mol
  • Pose 8: -8.556 kcal/mol
  • Pose 9: -8.538 kcal/mol
CHEMBL5980526_dpp4
Energy Plot
RMSD Scatter Plot