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

Docking Result

CHEMBL3112960_dpp4

Atoms: 270
Models: 9
Best Energy: -8.987 kcal/mol

Binding Energies:
  • Pose 1: -8.987 kcal/mol
  • Pose 2: -8.856 kcal/mol
  • Pose 3: -8.673 kcal/mol
  • Pose 4: -8.387 kcal/mol
  • Pose 5: -8.355 kcal/mol
  • Pose 6: -8.319 kcal/mol
  • Pose 7: -8.233 kcal/mol
  • Pose 8: -8.166 kcal/mol
  • Pose 9: -8.149 kcal/mol
CHEMBL3112960_dpp4
Energy Plot
RMSD Scatter Plot