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

Docking Result

CHEMBL402496_dpp4

Atoms: 270
Models: 9
Best Energy: -8.624 kcal/mol

Binding Energies:
  • Pose 1: -8.624 kcal/mol
  • Pose 2: -8.503 kcal/mol
  • Pose 3: -7.476 kcal/mol
  • Pose 4: -7.416 kcal/mol
  • Pose 5: -7.412 kcal/mol
  • Pose 6: -7.303 kcal/mol
  • Pose 7: -7.106 kcal/mol
  • Pose 8: -7.004 kcal/mol
  • Pose 9: -6.785 kcal/mol
CHEMBL402496_dpp4
Energy Plot
RMSD Scatter Plot