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

Docking Result

CHEMBL469452_dpp4

Atoms: 180
Models: 9
Best Energy: -5.629 kcal/mol

Binding Energies:
  • Pose 1: -5.629 kcal/mol
  • Pose 2: -5.57 kcal/mol
  • Pose 3: -5.555 kcal/mol
  • Pose 4: -5.502 kcal/mol
  • Pose 5: -5.415 kcal/mol
  • Pose 6: -5.368 kcal/mol
  • Pose 7: -5.287 kcal/mol
  • Pose 8: -5.247 kcal/mol
  • Pose 9: -5.129 kcal/mol
CHEMBL469452_dpp4
Energy Plot
RMSD Scatter Plot