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

Docking Result

CHEMBL234615_dpp4

Atoms: 207
Models: 9
Best Energy: -7.795 kcal/mol

Binding Energies:
  • Pose 1: -7.795 kcal/mol
  • Pose 2: -7.079 kcal/mol
  • Pose 3: -6.857 kcal/mol
  • Pose 4: -6.807 kcal/mol
  • Pose 5: -6.76 kcal/mol
  • Pose 6: -6.759 kcal/mol
  • Pose 7: -6.647 kcal/mol
  • Pose 8: -6.509 kcal/mol
  • Pose 9: -6.367 kcal/mol
CHEMBL234615_dpp4
Energy Plot
RMSD Scatter Plot