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

Docking Result

CHEMBL250852_dpp4

Atoms: 234
Models: 9
Best Energy: -8.063 kcal/mol

Binding Energies:
  • Pose 1: -8.063 kcal/mol
  • Pose 2: -8.037 kcal/mol
  • Pose 3: -7.618 kcal/mol
  • Pose 4: -7.615 kcal/mol
  • Pose 5: -7.571 kcal/mol
  • Pose 6: -7.56 kcal/mol
  • Pose 7: -7.548 kcal/mol
  • Pose 8: -7.204 kcal/mol
  • Pose 9: -7.202 kcal/mol
CHEMBL250852_dpp4
Energy Plot
RMSD Scatter Plot