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

Docking Result

CHEMBL3644462_dpp4

Atoms: 288
Models: 9
Best Energy: -7.831 kcal/mol

Binding Energies:
  • Pose 1: -7.831 kcal/mol
  • Pose 2: -7.732 kcal/mol
  • Pose 3: -7.72 kcal/mol
  • Pose 4: -7.612 kcal/mol
  • Pose 5: -7.58 kcal/mol
  • Pose 6: -7.487 kcal/mol
  • Pose 7: -7.458 kcal/mol
  • Pose 8: -7.419 kcal/mol
  • Pose 9: -7.175 kcal/mol
CHEMBL3644462_dpp4
Energy Plot
RMSD Scatter Plot