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

Docking Result

CHEMBL3644796_dpp4

Atoms: 324
Models: 9
Best Energy: -8.415 kcal/mol

Binding Energies:
  • Pose 1: -8.415 kcal/mol
  • Pose 2: -8.338 kcal/mol
  • Pose 3: -8.131 kcal/mol
  • Pose 4: -8.075 kcal/mol
  • Pose 5: -8.042 kcal/mol
  • Pose 6: -7.9 kcal/mol
  • Pose 7: -7.819 kcal/mol
  • Pose 8: -7.726 kcal/mol
  • Pose 9: -7.541 kcal/mol
CHEMBL3644796_dpp4
Energy Plot
RMSD Scatter Plot