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

Docking Result

CHEMBL455298_dpp4

Atoms: 162
Models: 9
Best Energy: -4.673 kcal/mol

Binding Energies:
  • Pose 1: -4.673 kcal/mol
  • Pose 2: -4.641 kcal/mol
  • Pose 3: -4.637 kcal/mol
  • Pose 4: -4.594 kcal/mol
  • Pose 5: -4.52 kcal/mol
  • Pose 6: -4.462 kcal/mol
  • Pose 7: -4.459 kcal/mol
  • Pose 8: -4.327 kcal/mol
  • Pose 9: -4.306 kcal/mol
CHEMBL455298_dpp4
Energy Plot
RMSD Scatter Plot