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HelixFold-Multimer: Elevating Protein Complex Structure Prediction to New Heights

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arxiv 2404.10260 v2 pith:KZC6VRTU submitted 2024-04-16 q-bio.BM cs.AI

classification q-bio.BMcs.AI
keywords proteinpredictioncomplexhelixfold-multimerstructureaccuracyantigen-antibodychallenge
verification ladder T0 review T1 audit T2 compute T3 formal
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While monomer protein structure prediction tools boast impressive accuracy, the prediction of protein complex structures remains a daunting challenge in the field. This challenge is particularly pronounced in scenarios involving complexes with protein chains from different species, such as antigen-antibody interactions, where accuracy often falls short. Limited by the accuracy of complex prediction, tasks based on precise protein-protein interaction analysis also face obstacles. In this report, we highlight the ongoing advancements of our protein complex structure prediction model, HelixFold-Multimer, underscoring its enhanced performance. HelixFold-Multimer provides precise predictions for diverse protein complex structures, especially in therapeutic protein interactions. Notably, HelixFold-Multimer achieves remarkable success in antigen-antibody and peptide-protein structure prediction, greatly surpassing AlphaFold 3. HelixFold-Multimer is now available for public use on the PaddleHelix platform, offering both a general version and an antigen-antibody version. Researchers can conveniently access and utilize this service for their development needs.

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Cited by 2 Pith papers

Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score. Full citation record

  1. Reshaping Biomolecular Structure Prediction through Strategic Conformational Exploration with HelixFold-S1

    q-bio.BM 2025-07 conditional novelty 6.0 of 10

    Guided sampling using predicted inter-chain contacts achieves higher structural accuracy with an order of magnitude fewer samples than unguided sampling.

  2. HelixDesign-Antibody: A Scalable Production-Grade Platform for Antibody Design Built on HelixFold3

    q-bio.BM 2025-07 reject novelty 4.0 of 10

    The paper describes a production antibody design platform built on HelixFold3 and reports that sampling more candidates improves top-ranked metrics, a claim that reduces to trivial sampling statistics.

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