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

Docking Result

CHEMBL257636_dpp4

Atoms: 198
Models: 9
Best Energy: -7.227 kcal/mol

Binding Energies:
  • Pose 1: -7.227 kcal/mol
  • Pose 2: -6.662 kcal/mol
  • Pose 3: -6.618 kcal/mol
  • Pose 4: -6.516 kcal/mol
  • Pose 5: -6.433 kcal/mol
  • Pose 6: -6.404 kcal/mol
  • Pose 7: -6.194 kcal/mol
  • Pose 8: -6.17 kcal/mol
  • Pose 9: -5.96 kcal/mol
CHEMBL257636_dpp4
Energy Plot
RMSD Scatter Plot