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

Docking Result

CHEMBL3618140_dpp4

Atoms: 270
Models: 9
Best Energy: -8.141 kcal/mol

Binding Energies:
  • Pose 1: -8.141 kcal/mol
  • Pose 2: -7.843 kcal/mol
  • Pose 3: -7.685 kcal/mol
  • Pose 4: -7.633 kcal/mol
  • Pose 5: -7.578 kcal/mol
  • Pose 6: -7.313 kcal/mol
  • Pose 7: -7.272 kcal/mol
  • Pose 8: -7.235 kcal/mol
  • Pose 9: -7.124 kcal/mol
CHEMBL3618140_dpp4
Energy Plot
RMSD Scatter Plot