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

Docking Result

CHEMBL231653_dpp4

Atoms: 279
Models: 9
Best Energy: -7.681 kcal/mol

Binding Energies:
  • Pose 1: -7.681 kcal/mol
  • Pose 2: -7.634 kcal/mol
  • Pose 3: -7.502 kcal/mol
  • Pose 4: -7.498 kcal/mol
  • Pose 5: -7.438 kcal/mol
  • Pose 6: -7.426 kcal/mol
  • Pose 7: -7.407 kcal/mol
  • Pose 8: -7.377 kcal/mol
  • Pose 9: -7.167 kcal/mol
CHEMBL231653_dpp4
Energy Plot
RMSD Scatter Plot