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

Docking Result

CHEMBL96891_dpp4

Atoms: 171
Models: 9
Best Energy: -6.248 kcal/mol

Binding Energies:
  • Pose 1: -6.248 kcal/mol
  • Pose 2: -6.242 kcal/mol
  • Pose 3: -6.026 kcal/mol
  • Pose 4: -6.005 kcal/mol
  • Pose 5: -5.98 kcal/mol
  • Pose 6: -5.948 kcal/mol
  • Pose 7: -5.94 kcal/mol
  • Pose 8: -5.852 kcal/mol
  • Pose 9: -5.591 kcal/mol
CHEMBL96891_dpp4
Energy Plot
RMSD Scatter Plot