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

Docking Result

CHEMBL235199_dpp4

Atoms: 306
Models: 9
Best Energy: -8.421 kcal/mol

Binding Energies:
  • Pose 1: -8.421 kcal/mol
  • Pose 2: -8.167 kcal/mol
  • Pose 3: -8.065 kcal/mol
  • Pose 4: -8.055 kcal/mol
  • Pose 5: -7.85 kcal/mol
  • Pose 6: -7.779 kcal/mol
  • Pose 7: -7.725 kcal/mol
  • Pose 8: -7.549 kcal/mol
  • Pose 9: -7.473 kcal/mol
CHEMBL235199_dpp4
Energy Plot
RMSD Scatter Plot