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

Docking Result

CHEMBL388475_dpp4

Atoms: 252
Models: 9
Best Energy: -7.695 kcal/mol

Binding Energies:
  • Pose 1: -7.695 kcal/mol
  • Pose 2: -7.583 kcal/mol
  • Pose 3: -7.583 kcal/mol
  • Pose 4: -7.515 kcal/mol
  • Pose 5: -7.504 kcal/mol
  • Pose 6: -7.361 kcal/mol
  • Pose 7: -7.302 kcal/mol
  • Pose 8: -7.261 kcal/mol
  • Pose 9: -7.223 kcal/mol
CHEMBL388475_dpp4
Energy Plot
RMSD Scatter Plot