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

Docking Result

CHEMBL488047_dpp4

Atoms: 360
Models: 9
Best Energy: -9.763 kcal/mol

Binding Energies:
  • Pose 1: -9.763 kcal/mol
  • Pose 2: -9.739 kcal/mol
  • Pose 3: -9.548 kcal/mol
  • Pose 4: -9.427 kcal/mol
  • Pose 5: -9.3 kcal/mol
  • Pose 6: -9.052 kcal/mol
  • Pose 7: -9.044 kcal/mol
  • Pose 8: -8.944 kcal/mol
  • Pose 9: -8.901 kcal/mol
CHEMBL488047_dpp4
Energy Plot
RMSD Scatter Plot