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

Docking Result

CHEMBL232845_dpp4

Atoms: 270
Models: 9
Best Energy: -7.942 kcal/mol

Binding Energies:
  • Pose 1: -7.942 kcal/mol
  • Pose 2: -7.893 kcal/mol
  • Pose 3: -7.884 kcal/mol
  • Pose 4: -7.715 kcal/mol
  • Pose 5: -7.64 kcal/mol
  • Pose 6: -7.639 kcal/mol
  • Pose 7: -7.568 kcal/mol
  • Pose 8: -7.534 kcal/mol
  • Pose 9: -7.487 kcal/mol
CHEMBL232845_dpp4
Energy Plot
RMSD Scatter Plot