A comprehensive primer and review of PROTACs and their In Silico design

Abstract excerpt

• Prior protein-protein docking greatly increases the success of structure-based design • The Rosetta suite excels among structure-based ternary complex prediction methods • Lysine density in ubiquitination zone reliably predicts degradation efficiency • Deep learning can model ligand-dependent multicomponent assemblies’ conformations • AlphaFold and RosettaFold trained on experimental data can reshape PROTAC...

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