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

Docking Result

CHEMBL3644783_dpp4

Atoms: 333
Models: 9
Best Energy: -8.951 kcal/mol

Binding Energies:
  • Pose 1: -8.951 kcal/mol
  • Pose 2: -8.818 kcal/mol
  • Pose 3: -8.654 kcal/mol
  • Pose 4: -8.654 kcal/mol
  • Pose 5: -8.573 kcal/mol
  • Pose 6: -8.477 kcal/mol
  • Pose 7: -8.346 kcal/mol
  • Pose 8: -8.29 kcal/mol
  • Pose 9: -8.019 kcal/mol
CHEMBL3644783_dpp4
Energy Plot
RMSD Scatter Plot