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

Docking Result

CHEMBL317537_dpp4

Atoms: 144
Models: 9
Best Energy: -5.11 kcal/mol

Binding Energies:
  • Pose 1: -5.11 kcal/mol
  • Pose 2: -4.833 kcal/mol
  • Pose 3: -4.807 kcal/mol
  • Pose 4: -4.747 kcal/mol
  • Pose 5: -4.66 kcal/mol
  • Pose 6: -4.658 kcal/mol
  • Pose 7: -4.605 kcal/mol
  • Pose 8: -4.576 kcal/mol
  • Pose 9: -4.557 kcal/mol
CHEMBL317537_dpp4
Energy Plot
RMSD Scatter Plot