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

Docking Result

CHEMBL236707_dpp4

Atoms: 288
Models: 9
Best Energy: -9.076 kcal/mol

Binding Energies:
  • Pose 1: -9.076 kcal/mol
  • Pose 2: -8.5 kcal/mol
  • Pose 3: -8.46 kcal/mol
  • Pose 4: -8.45 kcal/mol
  • Pose 5: -8.27 kcal/mol
  • Pose 6: -8.265 kcal/mol
  • Pose 7: -8.205 kcal/mol
  • Pose 8: -8.153 kcal/mol
  • Pose 9: -7.842 kcal/mol
CHEMBL236707_dpp4
Energy Plot
RMSD Scatter Plot