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

Docking Result

CHEMBL5220594_dpp4

Atoms: 315
Models: 9
Best Energy: -7.654 kcal/mol

Binding Energies:
  • Pose 1: -7.654 kcal/mol
  • Pose 2: -7.543 kcal/mol
  • Pose 3: -7.417 kcal/mol
  • Pose 4: -7.298 kcal/mol
  • Pose 5: -7.264 kcal/mol
  • Pose 6: -7.257 kcal/mol
  • Pose 7: -7.242 kcal/mol
  • Pose 8: -7.208 kcal/mol
  • Pose 9: -7.169 kcal/mol
CHEMBL5220594_dpp4
Energy Plot
RMSD Scatter Plot