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

Docking Result

CHEMBL512718_dpp4

Atoms: 306
Models: 9
Best Energy: -8.739 kcal/mol

Binding Energies:
  • Pose 1: -8.739 kcal/mol
  • Pose 2: -8.249 kcal/mol
  • Pose 3: -8.237 kcal/mol
  • Pose 4: -8.233 kcal/mol
  • Pose 5: -8.174 kcal/mol
  • Pose 6: -8.076 kcal/mol
  • Pose 7: -8.052 kcal/mol
  • Pose 8: -8.039 kcal/mol
  • Pose 9: -8.016 kcal/mol
CHEMBL512718_dpp4
Energy Plot
RMSD Scatter Plot