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

Docking Result

CHEMBL272114_dpp4

Atoms: 207
Models: 9
Best Energy: -7.053 kcal/mol

Binding Energies:
  • Pose 1: -7.053 kcal/mol
  • Pose 2: -6.887 kcal/mol
  • Pose 3: -6.839 kcal/mol
  • Pose 4: -6.696 kcal/mol
  • Pose 5: -6.614 kcal/mol
  • Pose 6: -6.55 kcal/mol
  • Pose 7: -6.485 kcal/mol
  • Pose 8: -6.466 kcal/mol
  • Pose 9: -6.349 kcal/mol
CHEMBL272114_dpp4
Energy Plot
RMSD Scatter Plot