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

Docking Result

CHEMBL96748_dpp4

Atoms: 135
Models: 9
Best Energy: -5.152 kcal/mol

Binding Energies:
  • Pose 1: -5.152 kcal/mol
  • Pose 2: -5.01 kcal/mol
  • Pose 3: -4.939 kcal/mol
  • Pose 4: -4.908 kcal/mol
  • Pose 5: -4.852 kcal/mol
  • Pose 6: -4.849 kcal/mol
  • Pose 7: -4.839 kcal/mol
  • Pose 8: -4.815 kcal/mol
  • Pose 9: -4.726 kcal/mol
CHEMBL96748_dpp4
Energy Plot
RMSD Scatter Plot