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

Docking Result

CHEMBL195030_dpp4

Atoms: 288
Models: 9
Best Energy: -8.824 kcal/mol

Binding Energies:
  • Pose 1: -8.824 kcal/mol
  • Pose 2: -8.76 kcal/mol
  • Pose 3: -8.727 kcal/mol
  • Pose 4: -8.481 kcal/mol
  • Pose 5: -8.258 kcal/mol
  • Pose 6: -8.226 kcal/mol
  • Pose 7: -8.213 kcal/mol
  • Pose 8: -8.104 kcal/mol
  • Pose 9: -8.04 kcal/mol
CHEMBL195030_dpp4
Energy Plot
RMSD Scatter Plot