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

Docking Result

CHEMBL552127_dpp4

Atoms: 297
Models: 9
Best Energy: -8.16 kcal/mol

Binding Energies:
  • Pose 1: -8.16 kcal/mol
  • Pose 2: -8.128 kcal/mol
  • Pose 3: -7.804 kcal/mol
  • Pose 4: -7.564 kcal/mol
  • Pose 5: -7.498 kcal/mol
  • Pose 6: -7.367 kcal/mol
  • Pose 7: -7.211 kcal/mol
  • Pose 8: -7.203 kcal/mol
  • Pose 9: -7.08 kcal/mol
CHEMBL552127_dpp4
Energy Plot
RMSD Scatter Plot