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

Docking Result

CHEMBL565613_dpp4

Atoms: 270
Models: 9
Best Energy: -8.339 kcal/mol

Binding Energies:
  • Pose 1: -8.339 kcal/mol
  • Pose 2: -8.278 kcal/mol
  • Pose 3: -8.244 kcal/mol
  • Pose 4: -8.148 kcal/mol
  • Pose 5: -7.959 kcal/mol
  • Pose 6: -7.91 kcal/mol
  • Pose 7: -7.646 kcal/mol
  • Pose 8: -7.523 kcal/mol
  • Pose 9: -7.479 kcal/mol
CHEMBL565613_dpp4
Energy Plot
RMSD Scatter Plot