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Keyword: large protein complexes ×Clear all

2 claims from 1 paper

1. Biochemistry, Genetics and Molecular Biology › Protein Structure and Dynamics

   HDOCK-Multimer: improved structure prediction of large protein complexes by integrating docking and combinatorial assembly

   Yao, Ya, Li and Huang · Nature Computational Science · 2026

   The paper presents HDOCK-Multimer, a framework combining docking and combinatorial assembly to predict structures of large protein complexes, and reports it outperforming current methods on three benchmarks.

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   1. UncheckedHDOCK-Multimer is reported to substantially outperform CombFold, MoLPC, AlphaFold-Multimer and AlphaFold3 on three benchmarks of large protein complexes.“When evaluated on 3 benchmarks of 35 large heteromeric complexes, 172 large protein complexes and 7 CASP15 targets, HDM substantially outperforms state-of-the-art methods including CombFold, MoLPC, AlphaFold-Multimer and AlphaFold3.”
   2. UncheckedHDOCK-Multimer can predict how many copies of each protein a complex contains, and model the complex without being told this in advance.“In addition, HDM also demonstrates the capacity to predict the stoichiometry and model the complex without stoichiometry input.”