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

Docking Result

CHEMBL4869930_dpp4

Atoms: 333
Models: 9
Best Energy: -8.617 kcal/mol

Binding Energies:
  • Pose 1: -8.617 kcal/mol
  • Pose 2: -8.388 kcal/mol
  • Pose 3: -8.268 kcal/mol
  • Pose 4: -7.981 kcal/mol
  • Pose 5: -7.811 kcal/mol
  • Pose 6: -7.69 kcal/mol
  • Pose 7: -7.616 kcal/mol
  • Pose 8: -7.615 kcal/mol
  • Pose 9: -7.438 kcal/mol
CHEMBL4869930_dpp4
Energy Plot
RMSD Scatter Plot