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

Docking Result

CHEMBL4636223_dpp4

Atoms: 315
Models: 9
Best Energy: -8.596 kcal/mol

Binding Energies:
  • Pose 1: -8.596 kcal/mol
  • Pose 2: -8.459 kcal/mol
  • Pose 3: -8.091 kcal/mol
  • Pose 4: -7.601 kcal/mol
  • Pose 5: -7.549 kcal/mol
  • Pose 6: -7.526 kcal/mol
  • Pose 7: -7.429 kcal/mol
  • Pose 8: -7.37 kcal/mol
  • Pose 9: -7.153 kcal/mol
CHEMBL4636223_dpp4
Energy Plot
RMSD Scatter Plot