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

Docking Result

CHEMBL3233549_dpp4

Atoms: 198
Models: 9
Best Energy: -6.444 kcal/mol

Binding Energies:
  • Pose 1: -6.444 kcal/mol
  • Pose 2: -6.128 kcal/mol
  • Pose 3: -6.102 kcal/mol
  • Pose 4: -6.091 kcal/mol
  • Pose 5: -6.058 kcal/mol
  • Pose 6: -5.967 kcal/mol
  • Pose 7: -5.779 kcal/mol
  • Pose 8: -5.759 kcal/mol
  • Pose 9: -5.724 kcal/mol
CHEMBL3233549_dpp4
Energy Plot
RMSD Scatter Plot