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

Docking Result

CHEMBL235223_dpp4

Atoms: 315
Models: 9
Best Energy: -7.847 kcal/mol

Binding Energies:
  • Pose 1: -7.847 kcal/mol
  • Pose 2: -7.835 kcal/mol
  • Pose 3: -7.606 kcal/mol
  • Pose 4: -7.594 kcal/mol
  • Pose 5: -7.549 kcal/mol
  • Pose 6: -7.495 kcal/mol
  • Pose 7: -7.377 kcal/mol
  • Pose 8: -7.202 kcal/mol
  • Pose 9: -7.201 kcal/mol
CHEMBL235223_dpp4
Energy Plot
RMSD Scatter Plot