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

Docking Result

CHEMBL4529301_dpp4

Atoms: 270
Models: 9
Best Energy: -9.837 kcal/mol

Binding Energies:
  • Pose 1: -9.837 kcal/mol
  • Pose 2: -9.254 kcal/mol
  • Pose 3: -9.089 kcal/mol
  • Pose 4: -8.983 kcal/mol
  • Pose 5: -8.951 kcal/mol
  • Pose 6: -8.858 kcal/mol
  • Pose 7: -8.671 kcal/mol
  • Pose 8: -8.65 kcal/mol
  • Pose 9: -8.571 kcal/mol
CHEMBL4529301_dpp4
Energy Plot
RMSD Scatter Plot