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

Docking Result

CHEMBL23110_dpp4

Atoms: 279
Models: 9
Best Energy: -8.073 kcal/mol

Binding Energies:
  • Pose 1: -8.073 kcal/mol
  • Pose 2: -7.998 kcal/mol
  • Pose 3: -7.924 kcal/mol
  • Pose 4: -7.741 kcal/mol
  • Pose 5: -7.702 kcal/mol
  • Pose 6: -7.685 kcal/mol
  • Pose 7: -7.5 kcal/mol
  • Pose 8: -7.371 kcal/mol
  • Pose 9: -7.357 kcal/mol
CHEMBL23110_dpp4
Energy Plot
RMSD Scatter Plot