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

Docking Result

CHEMBL196881_dpp4

Atoms: 315
Models: 9
Best Energy: -8.753 kcal/mol

Binding Energies:
  • Pose 1: -8.753 kcal/mol
  • Pose 2: -8.662 kcal/mol
  • Pose 3: -8.63 kcal/mol
  • Pose 4: -8.537 kcal/mol
  • Pose 5: -8.259 kcal/mol
  • Pose 6: -8.103 kcal/mol
  • Pose 7: -8.044 kcal/mol
  • Pose 8: -7.996 kcal/mol
  • Pose 9: -7.985 kcal/mol
CHEMBL196881_dpp4
Energy Plot
RMSD Scatter Plot