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

Docking Result

CHEMBL3953094_dpp4

Atoms: 378
Models: 9
Best Energy: -9.815 kcal/mol

Binding Energies:
  • Pose 1: -9.815 kcal/mol
  • Pose 2: -9.337 kcal/mol
  • Pose 3: -9.233 kcal/mol
  • Pose 4: -8.883 kcal/mol
  • Pose 5: -8.755 kcal/mol
  • Pose 6: -8.728 kcal/mol
  • Pose 7: -8.709 kcal/mol
  • Pose 8: -8.642 kcal/mol
  • Pose 9: -8.388 kcal/mol
CHEMBL3953094_dpp4
Energy Plot
RMSD Scatter Plot