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

Docking Result

CHEMBL148127_dpp4

Atoms: 171
Models: 9
Best Energy: -4.035 kcal/mol

Binding Energies:
  • Pose 1: -4.035 kcal/mol
  • Pose 2: -4.004 kcal/mol
  • Pose 3: -3.989 kcal/mol
  • Pose 4: -3.968 kcal/mol
  • Pose 5: -3.873 kcal/mol
  • Pose 6: -3.865 kcal/mol
  • Pose 7: -3.843 kcal/mol
  • Pose 8: -3.821 kcal/mol
  • Pose 9: -3.768 kcal/mol
CHEMBL148127_dpp4
Energy Plot
RMSD Scatter Plot