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

Docking Result

CHEMBL3972227_dpp4

Atoms: 369
Models: 9
Best Energy: -7.591 kcal/mol

Binding Energies:
  • Pose 1: -7.591 kcal/mol
  • Pose 2: -7.328 kcal/mol
  • Pose 3: -7.316 kcal/mol
  • Pose 4: -7.289 kcal/mol
  • Pose 5: -7.284 kcal/mol
  • Pose 6: -7.266 kcal/mol
  • Pose 7: -7.25 kcal/mol
  • Pose 8: -7.189 kcal/mol
  • Pose 9: -7.119 kcal/mol
CHEMBL3972227_dpp4
Energy Plot
RMSD Scatter Plot