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

Docking Result

CHEMBL590557_dpp4

Atoms: 252
Models: 9
Best Energy: -7.672 kcal/mol

Binding Energies:
  • Pose 1: -7.672 kcal/mol
  • Pose 2: -7.312 kcal/mol
  • Pose 3: -7.239 kcal/mol
  • Pose 4: -7.039 kcal/mol
  • Pose 5: -7.038 kcal/mol
  • Pose 6: -6.9 kcal/mol
  • Pose 7: -6.765 kcal/mol
  • Pose 8: -6.583 kcal/mol
  • Pose 9: -6.513 kcal/mol
CHEMBL590557_dpp4
Energy Plot
RMSD Scatter Plot