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

Docking Result

CHEMBL453574_dpp4

Atoms: 135
Models: 9
Best Energy: -5.604 kcal/mol

Binding Energies:
  • Pose 1: -5.604 kcal/mol
  • Pose 2: -5.394 kcal/mol
  • Pose 3: -5.359 kcal/mol
  • Pose 4: -5.332 kcal/mol
  • Pose 5: -5.151 kcal/mol
  • Pose 6: -5.133 kcal/mol
  • Pose 7: -5.086 kcal/mol
  • Pose 8: -5.054 kcal/mol
  • Pose 9: -4.723 kcal/mol
CHEMBL453574_dpp4
Energy Plot
RMSD Scatter Plot