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

Docking Result

CHEMBL6033078_dpp4

Atoms: 252
Models: 9
Best Energy: -9.206 kcal/mol

Binding Energies:
  • Pose 1: -9.206 kcal/mol
  • Pose 2: -8.951 kcal/mol
  • Pose 3: -8.59 kcal/mol
  • Pose 4: -8.432 kcal/mol
  • Pose 5: -8.427 kcal/mol
  • Pose 6: -8.389 kcal/mol
  • Pose 7: -8.22 kcal/mol
  • Pose 8: -8.034 kcal/mol
  • Pose 9: -7.987 kcal/mol
CHEMBL6033078_dpp4
Energy Plot
RMSD Scatter Plot