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

Docking Result

CHEMBL471960_dpp4

Atoms: 243
Models: 9
Best Energy: -7.827 kcal/mol

Binding Energies:
  • Pose 1: -7.827 kcal/mol
  • Pose 2: -7.543 kcal/mol
  • Pose 3: -7.31 kcal/mol
  • Pose 4: -7.285 kcal/mol
  • Pose 5: -7.279 kcal/mol
  • Pose 6: -7.23 kcal/mol
  • Pose 7: -7.222 kcal/mol
  • Pose 8: -7.209 kcal/mol
  • Pose 9: -7.116 kcal/mol
CHEMBL471960_dpp4
Energy Plot
RMSD Scatter Plot