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

Docking Result

CHEMBL101401_dpp4

Atoms: 198
Models: 9
Best Energy: -6.036 kcal/mol

Binding Energies:
  • Pose 1: -6.036 kcal/mol
  • Pose 2: -5.946 kcal/mol
  • Pose 3: -5.714 kcal/mol
  • Pose 4: -5.606 kcal/mol
  • Pose 5: -5.563 kcal/mol
  • Pose 6: -5.458 kcal/mol
  • Pose 7: -5.435 kcal/mol
  • Pose 8: -5.329 kcal/mol
  • Pose 9: -5.147 kcal/mol
CHEMBL101401_dpp4
Energy Plot
RMSD Scatter Plot