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

Docking Result

CHEMBL392139_dpp4

Atoms: 288
Models: 9
Best Energy: -7.642 kcal/mol

Binding Energies:
  • Pose 1: -7.642 kcal/mol
  • Pose 2: -7.238 kcal/mol
  • Pose 3: -7.081 kcal/mol
  • Pose 4: -6.991 kcal/mol
  • Pose 5: -6.905 kcal/mol
  • Pose 6: -6.87 kcal/mol
  • Pose 7: -6.711 kcal/mol
  • Pose 8: -6.654 kcal/mol
  • Pose 9: -6.654 kcal/mol
CHEMBL392139_dpp4
Energy Plot
RMSD Scatter Plot