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

Docking Result

CHEMBL443316_dpp4

Atoms: 216
Models: 9
Best Energy: -8.103 kcal/mol

Binding Energies:
  • Pose 1: -8.103 kcal/mol
  • Pose 2: -7.769 kcal/mol
  • Pose 3: -7.544 kcal/mol
  • Pose 4: -7.216 kcal/mol
  • Pose 5: -7.19 kcal/mol
  • Pose 6: -7.119 kcal/mol
  • Pose 7: -6.943 kcal/mol
  • Pose 8: -6.864 kcal/mol
  • Pose 9: -6.502 kcal/mol
CHEMBL443316_dpp4
Energy Plot
RMSD Scatter Plot