{
  "abstract": "Protein-glycan recognition underlies diverse biological processes, yet accurate prediction of protein-glycan complex structures remains challenging owing to the chemical diversity, conformational flexibility and sparse experimental structural coverage of glycans. Here we present GlycoWeave, a glycan-specific diffusion framework that integrates chemically constrained conformational sampling, multiscale molecular representations and multi-source learning. By operating in internal-coordinate space, GlycoWeave preserves glycan connectivity and stereochemistry while efficiently exploring bound conformations. A heterogeneous equivariant network couples atom-level interaction geometry with monosaccharide-level structural context, whereas multi-source, multi-head training integrates experimental complexes with structures refined using classical and quantum mechanics-informed potentials. On a benchmark of 698 protein-glycan complexes, GlycoWeave achieves a 71.9% Top-25 high-quality success rate, compared with 19.2% for AlphaFold 3, while requiring only 0.34 s per sampled pose. GlycoWeave further preserves glycan structural validity, recovers native protein-glycan interactions and reproduces linkage-specific conformational preferences, maintaining high accuracy across diverse glycan architectures and protein environments. These results establish GlycoWeave as an accurate, efficient and chemically faithful framework for modelling protein-glycan recognition. GlycoWeave is freely available at https://cadd.zju.edu.cn/glycoweave.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2610.37410",
  "author_total": 21,
  "authors": [
    {
      "name": "Huifeng Zhao"
    },
    {
      "name": "Jintu Zhang"
    },
    {
      "name": "Yifei Xiao"
    },
    {
      "name": "Youqiao Qian"
    },
    {
      "name": "Silong Zhai"
    },
    {
      "name": "Zichang Jin"
    },
    {
      "name": "Li Wang"
    },
    {
      "name": "Yuchao Wang"
    },
    {
      "name": "Hang Dong"
    },
    {
      "name": "Yifan Zhao"
    },
    {
      "name": "Zhenxing Wu"
    },
    {
      "name": "Hongyan Du"
    },
    {
      "name": "Yuansheng Huang"
    },
    {
      "name": "Bowei Zhao"
    },
    {
      "name": "Xiaorui Wang"
    },
    {
      "name": "Shukai Gu"
    },
    {
      "name": "Jike Wang"
    },
    {
      "name": "Zhongjun Li"
    },
    {
      "name": "Zhongtang Li"
    },
    {
      "name": "Tingjun Hou"
    },
    {
      "name": "Yu Kang"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/77wmwamaqyway.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2610.37410",
  "fulltext_url": null,
  "id": "77wmwamaqyway",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2610.37410",
  "language": null,
  "licence": "CC-BY-NC-SA-4.0",
  "licence_label": "CC BY-NC-SA 4.0",
  "licence_source": "article",
  "licence_url": "http://creativecommons.org/licenses/by-nc-sa/4.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "q-bio.BM"
    ],
    [
      "openalex",
      "1312|Protein Structure and Dynamics"
    ]
  ],
  "openalex": "W7224095329",
  "pdf_url": "https://arxiv.org/pdf/2610.37410",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-27",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/77wmwamaqyway.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:35:56Z",
      "native_id": "2610.37410",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2610.37410"
    }
  ],
  "subjects": [
    {
      "field": "biochemistry",
      "origin": "arxiv:q-bio.BM",
      "subfield": "biophysics"
    }
  ],
  "title": "Accurate structural modelling of protein-glycan recognition with GlycoWeave",
  "title_text": "Accurate structural modelling of protein-glycan recognition with GlycoWeave",
  "type": "preprint",
  "updated_at": "2026-10-30T12:35:56Z",
  "url": "https://research.draconitic.com/paper/77wmwamaqyway",
  "venue": "arXiv",
  "versions": []
}