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

Docking Result

CHEMBL3806023_dpp4

Atoms: 279
Models: 9
Best Energy: -9.143 kcal/mol

Binding Energies:
  • Pose 1: -9.143 kcal/mol
  • Pose 2: -9.089 kcal/mol
  • Pose 3: -9.006 kcal/mol
  • Pose 4: -8.429 kcal/mol
  • Pose 5: -8.356 kcal/mol
  • Pose 6: -8.153 kcal/mol
  • Pose 7: -7.989 kcal/mol
  • Pose 8: -7.928 kcal/mol
  • Pose 9: -7.672 kcal/mol
CHEMBL3806023_dpp4
Energy Plot
RMSD Scatter Plot