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

Docking Result

CHEMBL5423199_dpp4

Atoms: 324
Models: 9
Best Energy: -9.637 kcal/mol

Binding Energies:
  • Pose 1: -9.637 kcal/mol
  • Pose 2: -9.101 kcal/mol
  • Pose 3: -8.946 kcal/mol
  • Pose 4: -8.725 kcal/mol
  • Pose 5: -8.673 kcal/mol
  • Pose 6: -8.592 kcal/mol
  • Pose 7: -8.587 kcal/mol
  • Pose 8: -8.499 kcal/mol
  • Pose 9: -8.422 kcal/mol
CHEMBL5423199_dpp4
Energy Plot
RMSD Scatter Plot