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

Docking Result

CHEMBL3233550_dpp4

Atoms: 189
Models: 9
Best Energy: -7.993 kcal/mol

Binding Energies:
  • Pose 1: -7.993 kcal/mol
  • Pose 2: -7.832 kcal/mol
  • Pose 3: -7.777 kcal/mol
  • Pose 4: -7.746 kcal/mol
  • Pose 5: -7.732 kcal/mol
  • Pose 6: -7.549 kcal/mol
  • Pose 7: -7.148 kcal/mol
  • Pose 8: -7.145 kcal/mol
  • Pose 9: -7.122 kcal/mol
CHEMBL3233550_dpp4
Energy Plot
RMSD Scatter Plot