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

Docking Result

CHEMBL4241283_dpp4

Atoms: 144
Models: 9
Best Energy: -5.506 kcal/mol

Binding Energies:
  • Pose 1: -5.506 kcal/mol
  • Pose 2: -5.485 kcal/mol
  • Pose 3: -5.301 kcal/mol
  • Pose 4: -5.289 kcal/mol
  • Pose 5: -5.142 kcal/mol
  • Pose 6: -5.057 kcal/mol
  • Pose 7: -4.939 kcal/mol
  • Pose 8: -4.897 kcal/mol
  • Pose 9: -4.819 kcal/mol
CHEMBL4241283_dpp4
Energy Plot
RMSD Scatter Plot