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

Docking Result

CHEMBL236705_dpp4

Atoms: 261
Models: 9
Best Energy: -8.786 kcal/mol

Binding Energies:
  • Pose 1: -8.786 kcal/mol
  • Pose 2: -8.598 kcal/mol
  • Pose 3: -8.117 kcal/mol
  • Pose 4: -7.984 kcal/mol
  • Pose 5: -7.948 kcal/mol
  • Pose 6: -7.944 kcal/mol
  • Pose 7: -7.71 kcal/mol
  • Pose 8: -7.608 kcal/mol
  • Pose 9: -7.519 kcal/mol
CHEMBL236705_dpp4
Energy Plot
RMSD Scatter Plot