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

Docking Result

CHEMBL4435578_dpp4

Atoms: 180
Models: 9
Best Energy: -5.839 kcal/mol

Binding Energies:
  • Pose 1: -5.839 kcal/mol
  • Pose 2: -5.672 kcal/mol
  • Pose 3: -5.275 kcal/mol
  • Pose 4: -5.157 kcal/mol
  • Pose 5: -5.11 kcal/mol
  • Pose 6: -5.035 kcal/mol
  • Pose 7: -4.987 kcal/mol
  • Pose 8: -4.974 kcal/mol
  • Pose 9: -4.764 kcal/mol
CHEMBL4435578_dpp4
Energy Plot
RMSD Scatter Plot