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

Docking Result

CHEMBL237786_dpp4

Atoms: 279
Models: 9
Best Energy: -8.664 kcal/mol

Binding Energies:
  • Pose 1: -8.664 kcal/mol
  • Pose 2: -8.472 kcal/mol
  • Pose 3: -8.452 kcal/mol
  • Pose 4: -8.312 kcal/mol
  • Pose 5: -8.296 kcal/mol
  • Pose 6: -8.227 kcal/mol
  • Pose 7: -8.222 kcal/mol
  • Pose 8: -8.178 kcal/mol
  • Pose 9: -8.155 kcal/mol
CHEMBL237786_dpp4
Energy Plot
RMSD Scatter Plot