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

Docking Result

CHEMBL2206471_dpp4

Atoms: 333
Models: 9
Best Energy: -8.819 kcal/mol

Binding Energies:
  • Pose 1: -8.819 kcal/mol
  • Pose 2: -8.717 kcal/mol
  • Pose 3: -8.707 kcal/mol
  • Pose 4: -8.644 kcal/mol
  • Pose 5: -8.64 kcal/mol
  • Pose 6: -8.621 kcal/mol
  • Pose 7: -8.606 kcal/mol
  • Pose 8: -8.599 kcal/mol
  • Pose 9: -8.552 kcal/mol
CHEMBL2206471_dpp4
Energy Plot
RMSD Scatter Plot