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

Docking Result

CHEMBL5630180_dpp4

Atoms: 315
Models: 9
Best Energy: -8.509 kcal/mol

Binding Energies:
  • Pose 1: -8.509 kcal/mol
  • Pose 2: -8.429 kcal/mol
  • Pose 3: -8.256 kcal/mol
  • Pose 4: -8.218 kcal/mol
  • Pose 5: -8.1 kcal/mol
  • Pose 6: -8.088 kcal/mol
  • Pose 7: -8.08 kcal/mol
  • Pose 8: -8.01 kcal/mol
  • Pose 9: -7.973 kcal/mol
CHEMBL5630180_dpp4
Energy Plot
RMSD Scatter Plot