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

Docking Result

CHEMBL3952716_dpp4

Atoms: 243
Models: 9
Best Energy: -8.934 kcal/mol

Binding Energies:
  • Pose 1: -8.934 kcal/mol
  • Pose 2: -8.402 kcal/mol
  • Pose 3: -8.31 kcal/mol
  • Pose 4: -8.108 kcal/mol
  • Pose 5: -7.856 kcal/mol
  • Pose 6: -7.785 kcal/mol
  • Pose 7: -7.668 kcal/mol
  • Pose 8: -7.642 kcal/mol
  • Pose 9: -7.461 kcal/mol
CHEMBL3952716_dpp4
Energy Plot
RMSD Scatter Plot