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

Docking Result

CHEMBL263139_dpp4

Atoms: 207
Models: 9
Best Energy: -7.142 kcal/mol

Binding Energies:
  • Pose 1: -7.142 kcal/mol
  • Pose 2: -6.67 kcal/mol
  • Pose 3: -6.665 kcal/mol
  • Pose 4: -6.573 kcal/mol
  • Pose 5: -6.477 kcal/mol
  • Pose 6: -6.325 kcal/mol
  • Pose 7: -6.078 kcal/mol
  • Pose 8: -6.07 kcal/mol
  • Pose 9: -6.063 kcal/mol
CHEMBL263139_dpp4
Energy Plot
RMSD Scatter Plot