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

Docking Result

CHEMBL148392_dpp4

Atoms: 162
Models: 9
Best Energy: -5.272 kcal/mol

Binding Energies:
  • Pose 1: -5.272 kcal/mol
  • Pose 2: -5.264 kcal/mol
  • Pose 3: -5.088 kcal/mol
  • Pose 4: -4.952 kcal/mol
  • Pose 5: -4.771 kcal/mol
  • Pose 6: -4.751 kcal/mol
  • Pose 7: -4.672 kcal/mol
  • Pose 8: -4.567 kcal/mol
  • Pose 9: -4.421 kcal/mol
CHEMBL148392_dpp4
Energy Plot
RMSD Scatter Plot