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

Docking Result

CHEMBL459591_dpp4

Atoms: 315
Models: 9
Best Energy: -8.664 kcal/mol

Binding Energies:
  • Pose 1: -8.664 kcal/mol
  • Pose 2: -8.523 kcal/mol
  • Pose 3: -8.454 kcal/mol
  • Pose 4: -8.382 kcal/mol
  • Pose 5: -8.365 kcal/mol
  • Pose 6: -8.291 kcal/mol
  • Pose 7: -8.288 kcal/mol
  • Pose 8: -8.27 kcal/mol
  • Pose 9: -8.243 kcal/mol
CHEMBL459591_dpp4
Energy Plot
RMSD Scatter Plot