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

Docking Result

CHEMBL3694422_dpp4

Atoms: 297
Models: 9
Best Energy: -8.351 kcal/mol

Binding Energies:
  • Pose 1: -8.351 kcal/mol
  • Pose 2: -7.891 kcal/mol
  • Pose 3: -7.84 kcal/mol
  • Pose 4: -7.628 kcal/mol
  • Pose 5: -7.544 kcal/mol
  • Pose 6: -7.392 kcal/mol
  • Pose 7: -7.391 kcal/mol
  • Pose 8: -7.188 kcal/mol
  • Pose 9: -7.023 kcal/mol
CHEMBL3694422_dpp4
Energy Plot
RMSD Scatter Plot