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Affinity prediction performance for Def2018 model with different pose selection methods when trained on Crystal or Docked poses of PDB Refined and tested on Core. Best is the lowest RMSD pose to the crystal pose, CNNscore is the highest predicted scoring pose (not applicable for Crystal trained models), CNNaffinity is the highest predicted affinity, Worst is the highest RMSD pose to the crystal pose, and Random is taking a pose at random.
