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

Docking Result

CHEMBL235202_dpp4

Atoms: 198
Models: 9
Best Energy: -7.931 kcal/mol

Binding Energies:
  • Pose 1: -7.931 kcal/mol
  • Pose 2: -7.74 kcal/mol
  • Pose 3: -7.518 kcal/mol
  • Pose 4: -7.466 kcal/mol
  • Pose 5: -7.393 kcal/mol
  • Pose 6: -7.368 kcal/mol
  • Pose 7: -7.356 kcal/mol
  • Pose 8: -7.291 kcal/mol
  • Pose 9: -7.217 kcal/mol
CHEMBL235202_dpp4
Energy Plot
RMSD Scatter Plot