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

Docking Result

CHEMBL3734769_dpp4

Atoms: 288
Models: 9
Best Energy: -8.145 kcal/mol

Binding Energies:
  • Pose 1: -8.145 kcal/mol
  • Pose 2: -8.093 kcal/mol
  • Pose 3: -7.852 kcal/mol
  • Pose 4: -7.711 kcal/mol
  • Pose 5: -7.626 kcal/mol
  • Pose 6: -7.553 kcal/mol
  • Pose 7: -7.529 kcal/mol
  • Pose 8: -7.477 kcal/mol
  • Pose 9: -7.395 kcal/mol
CHEMBL3734769_dpp4
Energy Plot
RMSD Scatter Plot