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

Docking Result

CHEMBL3920718_dpp4

Atoms: 369
Models: 9
Best Energy: -7.831 kcal/mol

Binding Energies:
  • Pose 1: -7.831 kcal/mol
  • Pose 2: -7.753 kcal/mol
  • Pose 3: -7.739 kcal/mol
  • Pose 4: -7.687 kcal/mol
  • Pose 5: -7.628 kcal/mol
  • Pose 6: -7.61 kcal/mol
  • Pose 7: -7.505 kcal/mol
  • Pose 8: -7.316 kcal/mol
  • Pose 9: -7.254 kcal/mol
CHEMBL3920718_dpp4
Energy Plot
RMSD Scatter Plot