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

Docking Result

CHEMBL4781018_dpp4

Atoms: 288
Models: 9
Best Energy: -8.175 kcal/mol

Binding Energies:
  • Pose 1: -8.175 kcal/mol
  • Pose 2: -7.783 kcal/mol
  • Pose 3: -7.749 kcal/mol
  • Pose 4: -7.612 kcal/mol
  • Pose 5: -7.528 kcal/mol
  • Pose 6: -7.439 kcal/mol
  • Pose 7: -7.366 kcal/mol
  • Pose 8: -7.316 kcal/mol
  • Pose 9: -7.283 kcal/mol
CHEMBL4781018_dpp4
Energy Plot
RMSD Scatter Plot