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

Docking Result

CHEMBL432081_dpp4

Atoms: 351
Models: 9
Best Energy: -8.135 kcal/mol

Binding Energies:
  • Pose 1: -8.135 kcal/mol
  • Pose 2: -8.122 kcal/mol
  • Pose 3: -7.979 kcal/mol
  • Pose 4: -7.914 kcal/mol
  • Pose 5: -7.728 kcal/mol
  • Pose 6: -7.63 kcal/mol
  • Pose 7: -7.61 kcal/mol
  • Pose 8: -7.54 kcal/mol
  • Pose 9: -7.531 kcal/mol
CHEMBL432081_dpp4
Energy Plot
RMSD Scatter Plot