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

Docking Result

CHEMBL2022531_dpp4

Atoms: 225
Models: 9
Best Energy: -8.451 kcal/mol

Binding Energies:
  • Pose 1: -8.451 kcal/mol
  • Pose 2: -8.366 kcal/mol
  • Pose 3: -8.326 kcal/mol
  • Pose 4: -8.278 kcal/mol
  • Pose 5: -8.234 kcal/mol
  • Pose 6: -8.129 kcal/mol
  • Pose 7: -8.022 kcal/mol
  • Pose 8: -8.005 kcal/mol
  • Pose 9: -7.885 kcal/mol
CHEMBL2022531_dpp4
Energy Plot
RMSD Scatter Plot