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

Docking Result

CHEMBL5401924_dpp4

Atoms: 304
Models: 8
Best Energy: -10.241 kcal/mol

Binding Energies:
  • Pose 1: -10.241 kcal/mol
  • Pose 2: -9.342 kcal/mol
  • Pose 3: -9.265 kcal/mol
  • Pose 4: -9.193 kcal/mol
  • Pose 5: -9.05 kcal/mol
  • Pose 6: -8.702 kcal/mol
  • Pose 7: -8.475 kcal/mol
  • Pose 8: -8.465 kcal/mol
CHEMBL5401924_dpp4
Energy Plot
RMSD Scatter Plot