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

Docking Result

CHEMBL209191_dpp4

Atoms: 207
Models: 9
Best Energy: -6.578 kcal/mol

Binding Energies:
  • Pose 1: -6.578 kcal/mol
  • Pose 2: -6.456 kcal/mol
  • Pose 3: -6.228 kcal/mol
  • Pose 4: -6.227 kcal/mol
  • Pose 5: -6.165 kcal/mol
  • Pose 6: -6.136 kcal/mol
  • Pose 7: -6.054 kcal/mol
  • Pose 8: -5.994 kcal/mol
  • Pose 9: -5.795 kcal/mol
CHEMBL209191_dpp4
Energy Plot
RMSD Scatter Plot