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

Docking Result

CHEMBL495932_dpp4

Atoms: 225
Models: 9
Best Energy: -4.712 kcal/mol

Binding Energies:
  • Pose 1: -4.712 kcal/mol
  • Pose 2: -4.575 kcal/mol
  • Pose 3: -4.187 kcal/mol
  • Pose 4: -4.104 kcal/mol
  • Pose 5: -4.042 kcal/mol
  • Pose 6: -3.986 kcal/mol
  • Pose 7: -3.892 kcal/mol
  • Pose 8: -3.89 kcal/mol
  • Pose 9: -3.851 kcal/mol
CHEMBL495932_dpp4
Energy Plot
RMSD Scatter Plot