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

Docking Result

CHEMBL402151_dpp4

Atoms: 243
Models: 9
Best Energy: -8.262 kcal/mol

Binding Energies:
  • Pose 1: -8.262 kcal/mol
  • Pose 2: -8.11 kcal/mol
  • Pose 3: -8.025 kcal/mol
  • Pose 4: -7.888 kcal/mol
  • Pose 5: -7.864 kcal/mol
  • Pose 6: -7.655 kcal/mol
  • Pose 7: -7.609 kcal/mol
  • Pose 8: -7.47 kcal/mol
  • Pose 9: -7.386 kcal/mol
CHEMBL402151_dpp4
Energy Plot
RMSD Scatter Plot