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

Docking Result

CHEMBL3616896_dpp4

Atoms: 351
Models: 9
Best Energy: -8.677 kcal/mol

Binding Energies:
  • Pose 1: -8.677 kcal/mol
  • Pose 2: -8.306 kcal/mol
  • Pose 3: -8.298 kcal/mol
  • Pose 4: -8.205 kcal/mol
  • Pose 5: -8.173 kcal/mol
  • Pose 6: -8.117 kcal/mol
  • Pose 7: -8.088 kcal/mol
  • Pose 8: -8.046 kcal/mol
  • Pose 9: -8.012 kcal/mol
CHEMBL3616896_dpp4
Energy Plot
RMSD Scatter Plot