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

Docking Result

CHEMBL313423_dpp4

Atoms: 144
Models: 9
Best Energy: -5.837 kcal/mol

Binding Energies:
  • Pose 1: -5.837 kcal/mol
  • Pose 2: -5.507 kcal/mol
  • Pose 3: -5.463 kcal/mol
  • Pose 4: -5.434 kcal/mol
  • Pose 5: -5.319 kcal/mol
  • Pose 6: -5.309 kcal/mol
  • Pose 7: -5.307 kcal/mol
  • Pose 8: -5.242 kcal/mol
  • Pose 9: -5.174 kcal/mol
CHEMBL313423_dpp4
Energy Plot
RMSD Scatter Plot