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

Docking Result

CHEMBL5277828_dpp4

Atoms: 378
Models: 9
Best Energy: -8.677 kcal/mol

Binding Energies:
  • Pose 1: -8.677 kcal/mol
  • Pose 2: -8.244 kcal/mol
  • Pose 3: -8.178 kcal/mol
  • Pose 4: -8.108 kcal/mol
  • Pose 5: -7.73 kcal/mol
  • Pose 6: -7.714 kcal/mol
  • Pose 7: -7.688 kcal/mol
  • Pose 8: -7.618 kcal/mol
  • Pose 9: -7.61 kcal/mol
CHEMBL5277828_dpp4
Energy Plot
RMSD Scatter Plot