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

Docking Result

CHEMBL232919_dpp4

Atoms: 198
Models: 9
Best Energy: -7.037 kcal/mol

Binding Energies:
  • Pose 1: -7.037 kcal/mol
  • Pose 2: -6.882 kcal/mol
  • Pose 3: -6.809 kcal/mol
  • Pose 4: -6.642 kcal/mol
  • Pose 5: -6.573 kcal/mol
  • Pose 6: -6.549 kcal/mol
  • Pose 7: -6.537 kcal/mol
  • Pose 8: -6.407 kcal/mol
  • Pose 9: -6.352 kcal/mol
CHEMBL232919_dpp4
Energy Plot
RMSD Scatter Plot