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

Docking Result

CHEMBL3310990_dpp4

Atoms: 162
Models: 9
Best Energy: -7.382 kcal/mol

Binding Energies:
  • Pose 1: -7.382 kcal/mol
  • Pose 2: -6.89 kcal/mol
  • Pose 3: -6.882 kcal/mol
  • Pose 4: -6.672 kcal/mol
  • Pose 5: -6.635 kcal/mol
  • Pose 6: -6.564 kcal/mol
  • Pose 7: -6.32 kcal/mol
  • Pose 8: -6.249 kcal/mol
  • Pose 9: -6.169 kcal/mol
CHEMBL3310990_dpp4
Energy Plot
RMSD Scatter Plot