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

Docking Result

CHEMBL146450_dpp4

Atoms: 153
Models: 9
Best Energy: -5.109 kcal/mol

Binding Energies:
  • Pose 1: -5.109 kcal/mol
  • Pose 2: -5.103 kcal/mol
  • Pose 3: -5.084 kcal/mol
  • Pose 4: -5.054 kcal/mol
  • Pose 5: -5.047 kcal/mol
  • Pose 6: -5.016 kcal/mol
  • Pose 7: -4.885 kcal/mol
  • Pose 8: -4.813 kcal/mol
  • Pose 9: -4.809 kcal/mol
CHEMBL146450_dpp4
Energy Plot
RMSD Scatter Plot