Apo-Holo: a neural network to predict residue-level backbone and side-chain displacements during the formation of CAZyme-sugar complexes
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Predicting local structural rearrangements of enzymes upon ligand binding remains a major challenge. We present Apo-Holo (pronounced Apolo), a dataset and neural-network models that predict per-residue backbone and side-chain displacements (RMSD) and binary mo... ...
