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

Docking Result

CHEMBL3942843_dpp4

Atoms: 306
Models: 9
Best Energy: -8.586 kcal/mol

Binding Energies:
  • Pose 1: -8.586 kcal/mol
  • Pose 2: -8.04 kcal/mol
  • Pose 3: -7.959 kcal/mol
  • Pose 4: -7.733 kcal/mol
  • Pose 5: -7.727 kcal/mol
  • Pose 6: -7.725 kcal/mol
  • Pose 7: -7.584 kcal/mol
  • Pose 8: -7.578 kcal/mol
  • Pose 9: -7.576 kcal/mol
CHEMBL3942843_dpp4
Energy Plot
RMSD Scatter Plot