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

Docking Result

CHEMBL4164470_dpp4

Atoms: 333
Models: 9
Best Energy: -8.974 kcal/mol

Binding Energies:
  • Pose 1: -8.974 kcal/mol
  • Pose 2: -8.696 kcal/mol
  • Pose 3: -8.603 kcal/mol
  • Pose 4: -8.541 kcal/mol
  • Pose 5: -8.432 kcal/mol
  • Pose 6: -8.351 kcal/mol
  • Pose 7: -8.31 kcal/mol
  • Pose 8: -8.237 kcal/mol
  • Pose 9: -8.205 kcal/mol
CHEMBL4164470_dpp4
Energy Plot
RMSD Scatter Plot