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

Docking Result

CHEMBL196333_dpp4

Atoms: 234
Models: 9
Best Energy: -7.707 kcal/mol

Binding Energies:
  • Pose 1: -7.707 kcal/mol
  • Pose 2: -7.703 kcal/mol
  • Pose 3: -7.636 kcal/mol
  • Pose 4: -7.584 kcal/mol
  • Pose 5: -7.467 kcal/mol
  • Pose 6: -7.328 kcal/mol
  • Pose 7: -7.316 kcal/mol
  • Pose 8: -7.293 kcal/mol
  • Pose 9: -7.281 kcal/mol
CHEMBL196333_dpp4
Energy Plot
RMSD Scatter Plot