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

Docking Result

CHEMBL469538_dpp4

Atoms: 270
Models: 9
Best Energy: -7.563 kcal/mol

Binding Energies:
  • Pose 1: -7.563 kcal/mol
  • Pose 2: -7.376 kcal/mol
  • Pose 3: -7.367 kcal/mol
  • Pose 4: -7.242 kcal/mol
  • Pose 5: -7.178 kcal/mol
  • Pose 6: -7.164 kcal/mol
  • Pose 7: -7.119 kcal/mol
  • Pose 8: -7.099 kcal/mol
  • Pose 9: -7.003 kcal/mol
CHEMBL469538_dpp4
Energy Plot
RMSD Scatter Plot