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FoldKit is introduced, a Python package for efficient storage and analysis of large-scale AF3 co-folding results that reduces storage requirements and facilitating programmatic access to relevant outputs, which facilitates large-scale computational studies of biomolecular interactions.
An ensemble approach (enFoldX) that leverages structure prediction models such as AlphaFold3 to build sensitive binding predictors and outperforms the current co-folding methods which rely on predictions from the single top ranked structure.
An ensemble approach (enFoldX) that leverages structure prediction models such as AlphaFold3 to build sensitive binding predictors and outperforms the current co-folding methods which rely on predictions from the single top ranked structure.
Adaptive immunity relies on T-cell receptor (TCR) recognition of peptides presented by the major histocompatibility complex (pMHC). Accurate prediction of TCR:pMHC binding pairs from sequence data remains a longstanding challenge in computational immunology, limiting the development of precision immunotherapies like ca...
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