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

Docking Result

CHEMBL243230_dpp4

Atoms: 252
Models: 9
Best Energy: -8.015 kcal/mol

Binding Energies:
  • Pose 1: -8.015 kcal/mol
  • Pose 2: -7.962 kcal/mol
  • Pose 3: -7.868 kcal/mol
  • Pose 4: -7.807 kcal/mol
  • Pose 5: -7.76 kcal/mol
  • Pose 6: -7.72 kcal/mol
  • Pose 7: -7.649 kcal/mol
  • Pose 8: -7.42 kcal/mol
  • Pose 9: -7.284 kcal/mol
CHEMBL243230_dpp4
Energy Plot
RMSD Scatter Plot