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

Docking Result

CHEMBL5424840_dpp4

Atoms: 324
Models: 9
Best Energy: -10.224 kcal/mol

Binding Energies:
  • Pose 1: -10.224 kcal/mol
  • Pose 2: -9.946 kcal/mol
  • Pose 3: -9.415 kcal/mol
  • Pose 4: -9.397 kcal/mol
  • Pose 5: -9.379 kcal/mol
  • Pose 6: -9.215 kcal/mol
  • Pose 7: -9.028 kcal/mol
  • Pose 8: -8.948 kcal/mol
  • Pose 9: -8.91 kcal/mol
CHEMBL5424840_dpp4
Energy Plot
RMSD Scatter Plot