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

Docking Result

CHEMBL401378_dpp4

Atoms: 270
Models: 9
Best Energy: -8.782 kcal/mol

Binding Energies:
  • Pose 1: -8.782 kcal/mol
  • Pose 2: -8.606 kcal/mol
  • Pose 3: -8.138 kcal/mol
  • Pose 4: -8 kcal/mol
  • Pose 5: -7.801 kcal/mol
  • Pose 6: -7.635 kcal/mol
  • Pose 7: -7.555 kcal/mol
  • Pose 8: -7.539 kcal/mol
  • Pose 9: -7.485 kcal/mol
CHEMBL401378_dpp4
Energy Plot
RMSD Scatter Plot