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

Docking Result

CHEMBL4106669_dpp4

Atoms: 351
Models: 9
Best Energy: -9.559 kcal/mol

Binding Energies:
  • Pose 1: -9.559 kcal/mol
  • Pose 2: -9.245 kcal/mol
  • Pose 3: -9.225 kcal/mol
  • Pose 4: -9.206 kcal/mol
  • Pose 5: -9.137 kcal/mol
  • Pose 6: -9.014 kcal/mol
  • Pose 7: -8.979 kcal/mol
  • Pose 8: -8.941 kcal/mol
  • Pose 9: -8.914 kcal/mol
CHEMBL4106669_dpp4
Energy Plot
RMSD Scatter Plot