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

Docking Result

CHEMBL146190_dpp4

Atoms: 135
Models: 9
Best Energy: -5.246 kcal/mol

Binding Energies:
  • Pose 1: -5.246 kcal/mol
  • Pose 2: -5.121 kcal/mol
  • Pose 3: -5.072 kcal/mol
  • Pose 4: -5.055 kcal/mol
  • Pose 5: -4.976 kcal/mol
  • Pose 6: -4.969 kcal/mol
  • Pose 7: -4.882 kcal/mol
  • Pose 8: -4.854 kcal/mol
  • Pose 9: -4.823 kcal/mol
CHEMBL146190_dpp4
Energy Plot
RMSD Scatter Plot