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

Docking Result

CHEMBL3735433_dpp4

Atoms: 342
Models: 9
Best Energy: -8.594 kcal/mol

Binding Energies:
  • Pose 1: -8.594 kcal/mol
  • Pose 2: -8.53 kcal/mol
  • Pose 3: -8.514 kcal/mol
  • Pose 4: -8.418 kcal/mol
  • Pose 5: -8.138 kcal/mol
  • Pose 6: -8.063 kcal/mol
  • Pose 7: -7.971 kcal/mol
  • Pose 8: -7.952 kcal/mol
  • Pose 9: -7.937 kcal/mol
CHEMBL3735433_dpp4
Energy Plot
RMSD Scatter Plot