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

Docking Result

CHEMBL4563476_dpp4

Atoms: 369
Models: 9
Best Energy: -9.071 kcal/mol

Binding Energies:
  • Pose 1: -9.071 kcal/mol
  • Pose 2: -9.062 kcal/mol
  • Pose 3: -8.905 kcal/mol
  • Pose 4: -8.66 kcal/mol
  • Pose 5: -8.598 kcal/mol
  • Pose 6: -8.529 kcal/mol
  • Pose 7: -8.486 kcal/mol
  • Pose 8: -8.436 kcal/mol
  • Pose 9: -8.259 kcal/mol
CHEMBL4563476_dpp4
Energy Plot
RMSD Scatter Plot