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

Docking Result

CHEMBL217016_dpp4

Atoms: 252
Models: 9
Best Energy: -5.992 kcal/mol

Binding Energies:
  • Pose 1: -5.992 kcal/mol
  • Pose 2: -5.778 kcal/mol
  • Pose 3: -5.563 kcal/mol
  • Pose 4: -5.537 kcal/mol
  • Pose 5: -5.501 kcal/mol
  • Pose 6: -5.429 kcal/mol
  • Pose 7: -5.285 kcal/mol
  • Pose 8: -5.218 kcal/mol
  • Pose 9: -5.216 kcal/mol
CHEMBL217016_dpp4
Energy Plot
RMSD Scatter Plot