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

Docking Result

CHEMBL2424672_dpp4

Atoms: 198
Models: 9
Best Energy: -6.767 kcal/mol

Binding Energies:
  • Pose 1: -6.767 kcal/mol
  • Pose 2: -6.21 kcal/mol
  • Pose 3: -6.075 kcal/mol
  • Pose 4: -6.071 kcal/mol
  • Pose 5: -6.017 kcal/mol
  • Pose 6: -5.925 kcal/mol
  • Pose 7: -5.924 kcal/mol
  • Pose 8: -5.845 kcal/mol
  • Pose 9: -5.756 kcal/mol
CHEMBL2424672_dpp4
Energy Plot
RMSD Scatter Plot