PRosettaC is a computational protocol for the prediction of PROTAC-induced ternary complexes. It was benchmarked against ten available ternary complex crystal structures, and was able to predict six of them to atomic accuracy in one of the top three clusters.
The protocol receives as input, two protein structures (protein target and E3 ligase), including their appropriate ligands (binders), as well as the PROTAC chemical structure in a SMILES representation, and outputs predicted models for the ternary complex.
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