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

Docking Result

CHEMBL189620_dpp4

Atoms: 225
Models: 9
Best Energy: -7.286 kcal/mol

Binding Energies:
  • Pose 1: -7.286 kcal/mol
  • Pose 2: -7.11 kcal/mol
  • Pose 3: -7.066 kcal/mol
  • Pose 4: -7.063 kcal/mol
  • Pose 5: -7.034 kcal/mol
  • Pose 6: -7.01 kcal/mol
  • Pose 7: -6.912 kcal/mol
  • Pose 8: -6.908 kcal/mol
  • Pose 9: -6.741 kcal/mol
CHEMBL189620_dpp4
Energy Plot
RMSD Scatter Plot