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

Docking Result

CHEMBL4763718_dpp4

Atoms: 261
Models: 9
Best Energy: -7.911 kcal/mol

Binding Energies:
  • Pose 1: -7.911 kcal/mol
  • Pose 2: -7.836 kcal/mol
  • Pose 3: -7.835 kcal/mol
  • Pose 4: -7.797 kcal/mol
  • Pose 5: -7.778 kcal/mol
  • Pose 6: -7.741 kcal/mol
  • Pose 7: -7.578 kcal/mol
  • Pose 8: -7.452 kcal/mol
  • Pose 9: -7.389 kcal/mol
CHEMBL4763718_dpp4
Energy Plot
RMSD Scatter Plot