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

Docking Result

CHEMBL177823_dpp4

Atoms: 171
Models: 9
Best Energy: -7.091 kcal/mol

Binding Energies:
  • Pose 1: -7.091 kcal/mol
  • Pose 2: -7.008 kcal/mol
  • Pose 3: -7 kcal/mol
  • Pose 4: -6.752 kcal/mol
  • Pose 5: -6.733 kcal/mol
  • Pose 6: -6.711 kcal/mol
  • Pose 7: -6.67 kcal/mol
  • Pose 8: -6.317 kcal/mol
  • Pose 9: -6.245 kcal/mol
CHEMBL177823_dpp4
Energy Plot
RMSD Scatter Plot