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

Docking Result

CHEMBL2022512_dpp4

Atoms: 225
Models: 9
Best Energy: -7.642 kcal/mol

Binding Energies:
  • Pose 1: -7.642 kcal/mol
  • Pose 2: -7.639 kcal/mol
  • Pose 3: -7.594 kcal/mol
  • Pose 4: -7.567 kcal/mol
  • Pose 5: -7.556 kcal/mol
  • Pose 6: -7.471 kcal/mol
  • Pose 7: -7.401 kcal/mol
  • Pose 8: -7.39 kcal/mol
  • Pose 9: -7.178 kcal/mol
CHEMBL2022512_dpp4
Energy Plot
RMSD Scatter Plot