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

Docking Result

CHEMBL3093909_dpp4

Atoms: 225
Models: 9
Best Energy: -7.945 kcal/mol

Binding Energies:
  • Pose 1: -7.945 kcal/mol
  • Pose 2: -7.773 kcal/mol
  • Pose 3: -7.615 kcal/mol
  • Pose 4: -7.508 kcal/mol
  • Pose 5: -7.399 kcal/mol
  • Pose 6: -7.34 kcal/mol
  • Pose 7: -7.337 kcal/mol
  • Pose 8: -7.306 kcal/mol
  • Pose 9: -7.303 kcal/mol
CHEMBL3093909_dpp4
Energy Plot
RMSD Scatter Plot