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

Docking Result

CHEMBL3687981_dpp4

Atoms: 369
Models: 9
Best Energy: -8.391 kcal/mol

Binding Energies:
  • Pose 1: -8.391 kcal/mol
  • Pose 2: -8.314 kcal/mol
  • Pose 3: -8.247 kcal/mol
  • Pose 4: -8.234 kcal/mol
  • Pose 5: -8.11 kcal/mol
  • Pose 6: -7.729 kcal/mol
  • Pose 7: -7.677 kcal/mol
  • Pose 8: -7.618 kcal/mol
  • Pose 9: -7.595 kcal/mol
CHEMBL3687981_dpp4
Energy Plot
RMSD Scatter Plot