DiffPaSS -- High-performance differentiable pairing of protein sequences using soft scores


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Summary

DiffPaSS is a differentiable framework for pairing interacting biological sequences, outperforming existing methods in accuracy and speed. It uses a novel bootstrap technique and can be applied to various scores, including mutual information and graph alignment.

Highlights

  • DiffPaSS is a differentiable framework for pairing interacting biological sequences.
  • It outperforms existing methods in accuracy and speed.
  • DiffPaSS uses a novel bootstrap technique for optimization.
  • It can be applied to various scores, including mutual information and graph alignment.
  • DiffPaSS is computationally efficient and scalable to large datasets.
  • It has potential applications in structural biology and T-cell receptor pairing.
  • DiffPaSS is a general method that can be used for pairing problems beyond protein sequences.

Key Insights

  • DiffPaSS's ability to extract all available mutual information signal from the benchmark dataset demonstrates its effectiveness in pairing interacting biological sequences.
  • The framework's computational efficiency and scalability make it a valuable tool for large-scale analyses in structural biology and other fields.
  • DiffPaSS's generality allows it to be applied to various pairing problems, including those involving non-aligned sequences or different types of biological data.
  • The novel bootstrap technique used in DiffPaSS enables efficient optimization and improves the accuracy of the pairing results.
  • The use of graph alignment scores in DiffPaSS provides an alternative approach to pairing interacting sequences, which can be particularly useful when dealing with non-aligned sequences.
  • DiffPaSS has the potential to improve the prediction of protein complex structures by providing more accurate paired alignments as input to structure prediction methods like AlphaFold-Multimer.
  • The framework's ability to identify robust pairs can be useful in identifying high-confidence interactions and improving the overall accuracy of the pairing results.



Mindmap


Citation

Lupo, U., Sgarbossa, D., Milighetti, M., & Bitbol, A.-F. (2024). DiffPaSS -- High-performance differentiable pairing of protein sequences using soft scores. arXiv. https://doi.org/10.48550/ARXIV.2409.16142

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