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

Docking Result

CHEMBL5944167_dpp4

Atoms: 224
Models: 8
Best Energy: -8.644 kcal/mol

Binding Energies:
  • Pose 1: -8.644 kcal/mol
  • Pose 2: -8.551 kcal/mol
  • Pose 3: -8.465 kcal/mol
  • Pose 4: -8.312 kcal/mol
  • Pose 5: -8.299 kcal/mol
  • Pose 6: -8.253 kcal/mol
  • Pose 7: -8.245 kcal/mol
  • Pose 8: -8.044 kcal/mol
CHEMBL5944167_dpp4
Energy Plot
RMSD Scatter Plot