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

Docking Result

CHEMBL230497_dpp4

Atoms: 306
Models: 9
Best Energy: -6.436 kcal/mol

Binding Energies:
  • Pose 1: -6.436 kcal/mol
  • Pose 2: -6.302 kcal/mol
  • Pose 3: -6.276 kcal/mol
  • Pose 4: -6.261 kcal/mol
  • Pose 5: -6.236 kcal/mol
  • Pose 6: -6.194 kcal/mol
  • Pose 7: -6.113 kcal/mol
  • Pose 8: -6.057 kcal/mol
  • Pose 9: -5.972 kcal/mol
CHEMBL230497_dpp4
Energy Plot
RMSD Scatter Plot