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

Docking Result

CHEMBL3644463_dpp4

Atoms: 288
Models: 9
Best Energy: -8.144 kcal/mol

Binding Energies:
  • Pose 1: -8.144 kcal/mol
  • Pose 2: -8.012 kcal/mol
  • Pose 3: -7.965 kcal/mol
  • Pose 4: -7.603 kcal/mol
  • Pose 5: -7.505 kcal/mol
  • Pose 6: -7.457 kcal/mol
  • Pose 7: -7.417 kcal/mol
  • Pose 8: -7.11 kcal/mol
  • Pose 9: -7.054 kcal/mol
CHEMBL3644463_dpp4
Energy Plot
RMSD Scatter Plot