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

Docking Result

CHEMBL2086590_dpp4

Atoms: 225
Models: 9
Best Energy: -7.211 kcal/mol

Binding Energies:
  • Pose 1: -7.211 kcal/mol
  • Pose 2: -7.2 kcal/mol
  • Pose 3: -7.055 kcal/mol
  • Pose 4: -6.987 kcal/mol
  • Pose 5: -6.873 kcal/mol
  • Pose 6: -6.785 kcal/mol
  • Pose 7: -6.757 kcal/mol
  • Pose 8: -6.673 kcal/mol
  • Pose 9: -6.629 kcal/mol
CHEMBL2086590_dpp4
Energy Plot
RMSD Scatter Plot