NilsDunlop/PROTACFold
A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.
This toolkit helps drug discovery researchers, particularly medicinal chemists and structural biologists, predict and analyze how PROTAC molecules interact with target proteins and E3 ligases. You input the chemical structure of a PROTAC and the proteins involved, and it outputs 3D models of the resulting 'ternary complex' to show how they fit together. This helps you understand and optimize PROTAC designs for targeted protein degradation.
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Use this if you need to computationally model and evaluate the 3D structures of PROTAC ternary complexes to guide drug design and understand their mechanism of action.
Not ideal if you are looking to predict the binding of single small molecules to a protein or if you lack the necessary computational resources (like a CUDA-compatible GPU) for running advanced protein folding models.
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Language
Python
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MIT
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Last pushed
Jul 17, 2025
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