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

Docking Result

CHEMBL3233836_dpp4

Atoms: 270
Models: 9
Best Energy: -9.143 kcal/mol

Binding Energies:
  • Pose 1: -9.143 kcal/mol
  • Pose 2: -8.533 kcal/mol
  • Pose 3: -8.476 kcal/mol
  • Pose 4: -8.443 kcal/mol
  • Pose 5: -8.43 kcal/mol
  • Pose 6: -8.42 kcal/mol
  • Pose 7: -8.353 kcal/mol
  • Pose 8: -8.306 kcal/mol
  • Pose 9: -8.302 kcal/mol
CHEMBL3233836_dpp4
Energy Plot
RMSD Scatter Plot