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

Docking Result

CHEMBL4249193_dpp4

Atoms: 306
Models: 9
Best Energy: -8.958 kcal/mol

Binding Energies:
  • Pose 1: -8.958 kcal/mol
  • Pose 2: -8.628 kcal/mol
  • Pose 3: -8.095 kcal/mol
  • Pose 4: -8.069 kcal/mol
  • Pose 5: -8.033 kcal/mol
  • Pose 6: -7.962 kcal/mol
  • Pose 7: -7.526 kcal/mol
  • Pose 8: -7.494 kcal/mol
  • Pose 9: -7.133 kcal/mol
CHEMBL4249193_dpp4
Energy Plot
RMSD Scatter Plot