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

Docking Result

CHEMBL4516388_dpp4

Atoms: 342
Models: 9
Best Energy: -7.9 kcal/mol

Binding Energies:
  • Pose 1: -7.9 kcal/mol
  • Pose 2: -7.891 kcal/mol
  • Pose 3: -7.855 kcal/mol
  • Pose 4: -7.826 kcal/mol
  • Pose 5: -7.755 kcal/mol
  • Pose 6: -7.723 kcal/mol
  • Pose 7: -7.679 kcal/mol
  • Pose 8: -7.613 kcal/mol
  • Pose 9: -7.594 kcal/mol
CHEMBL4516388_dpp4
Energy Plot
RMSD Scatter Plot