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

Docking Result

CHEMBL3952691_dpp4

Atoms: 243
Models: 9
Best Energy: -8.716 kcal/mol

Binding Energies:
  • Pose 1: -8.716 kcal/mol
  • Pose 2: -8.508 kcal/mol
  • Pose 3: -8.396 kcal/mol
  • Pose 4: -8.38 kcal/mol
  • Pose 5: -8.166 kcal/mol
  • Pose 6: -7.959 kcal/mol
  • Pose 7: -7.885 kcal/mol
  • Pose 8: -7.819 kcal/mol
  • Pose 9: -7.671 kcal/mol
CHEMBL3952691_dpp4
Energy Plot
RMSD Scatter Plot