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

Docking Result

CHEMBL2159182_dpp4

Atoms: 252
Models: 9
Best Energy: -7.682 kcal/mol

Binding Energies:
  • Pose 1: -7.682 kcal/mol
  • Pose 2: -7.559 kcal/mol
  • Pose 3: -7.319 kcal/mol
  • Pose 4: -7.24 kcal/mol
  • Pose 5: -7.108 kcal/mol
  • Pose 6: -7.089 kcal/mol
  • Pose 7: -7.046 kcal/mol
  • Pose 8: -6.863 kcal/mol
  • Pose 9: -6.822 kcal/mol
CHEMBL2159182_dpp4
Energy Plot
RMSD Scatter Plot