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

Docking Result

CHEMBL227418_dpp4

Atoms: 243
Models: 9
Best Energy: -7.589 kcal/mol

Binding Energies:
  • Pose 1: -7.589 kcal/mol
  • Pose 2: -7.41 kcal/mol
  • Pose 3: -7.015 kcal/mol
  • Pose 4: -6.81 kcal/mol
  • Pose 5: -6.809 kcal/mol
  • Pose 6: -6.69 kcal/mol
  • Pose 7: -6.558 kcal/mol
  • Pose 8: -6.367 kcal/mol
  • Pose 9: -6.239 kcal/mol
CHEMBL227418_dpp4
Energy Plot
RMSD Scatter Plot