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

Docking Result

CHEMBL3973741_dpp4

Atoms: 351
Models: 9
Best Energy: -7.889 kcal/mol

Binding Energies:
  • Pose 1: -7.889 kcal/mol
  • Pose 2: -7.87 kcal/mol
  • Pose 3: -7.864 kcal/mol
  • Pose 4: -7.826 kcal/mol
  • Pose 5: -7.757 kcal/mol
  • Pose 6: -7.693 kcal/mol
  • Pose 7: -7.649 kcal/mol
  • Pose 8: -7.609 kcal/mol
  • Pose 9: -7.451 kcal/mol
CHEMBL3973741_dpp4
Energy Plot
RMSD Scatter Plot