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

Docking Result

CHEMBL459643_dpp4

Atoms: 153
Models: 9
Best Energy: -5.153 kcal/mol

Binding Energies:
  • Pose 1: -5.153 kcal/mol
  • Pose 2: -5.142 kcal/mol
  • Pose 3: -5.071 kcal/mol
  • Pose 4: -5.043 kcal/mol
  • Pose 5: -5.006 kcal/mol
  • Pose 6: -4.878 kcal/mol
  • Pose 7: -4.872 kcal/mol
  • Pose 8: -4.852 kcal/mol
  • Pose 9: -4.78 kcal/mol
CHEMBL459643_dpp4
Energy Plot
RMSD Scatter Plot