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

Docking Result

CHEMBL343650_dpp4

Atoms: 135
Models: 9
Best Energy: -5.112 kcal/mol

Binding Energies:
  • Pose 1: -5.112 kcal/mol
  • Pose 2: -4.906 kcal/mol
  • Pose 3: -4.889 kcal/mol
  • Pose 4: -4.877 kcal/mol
  • Pose 5: -4.871 kcal/mol
  • Pose 6: -4.825 kcal/mol
  • Pose 7: -4.798 kcal/mol
  • Pose 8: -4.729 kcal/mol
  • Pose 9: -4.709 kcal/mol
CHEMBL343650_dpp4
Energy Plot
RMSD Scatter Plot