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

Docking Result

CHEMBL5778299_dpp4

Atoms: 342
Models: 9
Best Energy: -9.362 kcal/mol

Binding Energies:
  • Pose 1: -9.362 kcal/mol
  • Pose 2: -9.358 kcal/mol
  • Pose 3: -9.138 kcal/mol
  • Pose 4: -8.981 kcal/mol
  • Pose 5: -8.924 kcal/mol
  • Pose 6: -8.582 kcal/mol
  • Pose 7: -8.444 kcal/mol
  • Pose 8: -8.411 kcal/mol
  • Pose 9: -8.106 kcal/mol
CHEMBL5778299_dpp4
Energy Plot
RMSD Scatter Plot