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

Docking Result

CHEMBL228243_dpp4

Atoms: 261
Models: 9
Best Energy: -7.421 kcal/mol

Binding Energies:
  • Pose 1: -7.421 kcal/mol
  • Pose 2: -7.181 kcal/mol
  • Pose 3: -7.04 kcal/mol
  • Pose 4: -6.766 kcal/mol
  • Pose 5: -6.761 kcal/mol
  • Pose 6: -6.75 kcal/mol
  • Pose 7: -6.729 kcal/mol
  • Pose 8: -6.682 kcal/mol
  • Pose 9: -6.647 kcal/mol
CHEMBL228243_dpp4
Energy Plot
RMSD Scatter Plot