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

Docking Result

CHEMBL16709_dpp4

Atoms: 126
Models: 9
Best Energy: -5.464 kcal/mol

Binding Energies:
  • Pose 1: -5.464 kcal/mol
  • Pose 2: -5.432 kcal/mol
  • Pose 3: -5.428 kcal/mol
  • Pose 4: -5.402 kcal/mol
  • Pose 5: -5.362 kcal/mol
  • Pose 6: -5.298 kcal/mol
  • Pose 7: -5.163 kcal/mol
  • Pose 8: -5.128 kcal/mol
  • Pose 9: -4.915 kcal/mol
CHEMBL16709_dpp4
Energy Plot
RMSD Scatter Plot