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

Docking Result

CHEMBL3236112_dpp4

Atoms: 261
Models: 9
Best Energy: -8.278 kcal/mol

Binding Energies:
  • Pose 1: -8.278 kcal/mol
  • Pose 2: -8.248 kcal/mol
  • Pose 3: -8.14 kcal/mol
  • Pose 4: -7.763 kcal/mol
  • Pose 5: -7.622 kcal/mol
  • Pose 6: -7.6 kcal/mol
  • Pose 7: -7.594 kcal/mol
  • Pose 8: -7.539 kcal/mol
  • Pose 9: -7.495 kcal/mol
CHEMBL3236112_dpp4
Energy Plot
RMSD Scatter Plot