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

Docking Result

CHEMBL431885_dpp4

Atoms: 315
Models: 9
Best Energy: -8.233 kcal/mol

Binding Energies:
  • Pose 1: -8.233 kcal/mol
  • Pose 2: -8.159 kcal/mol
  • Pose 3: -8.04 kcal/mol
  • Pose 4: -7.941 kcal/mol
  • Pose 5: -7.935 kcal/mol
  • Pose 6: -7.935 kcal/mol
  • Pose 7: -7.891 kcal/mol
  • Pose 8: -7.759 kcal/mol
  • Pose 9: -7.603 kcal/mol
CHEMBL431885_dpp4
Energy Plot
RMSD Scatter Plot