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

Docking Result

CHEMBL238201_dpp4

Atoms: 192
Models: 8
Best Energy: -8.179 kcal/mol

Binding Energies:
  • Pose 1: -8.179 kcal/mol
  • Pose 2: -7.946 kcal/mol
  • Pose 3: -7.796 kcal/mol
  • Pose 4: -7.71 kcal/mol
  • Pose 5: -7.539 kcal/mol
  • Pose 6: -7.442 kcal/mol
  • Pose 7: -7.274 kcal/mol
  • Pose 8: -7.206 kcal/mol
CHEMBL238201_dpp4
Energy Plot
RMSD Scatter Plot