arXiv:2507.02345q-bio.BMcs.AI2025-07被引 1

基于HelixFold3的抗体设计平台,实现高效高通量候选抗体生成与筛选。

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

  • 利用HelixFold3高精度结构预测,大规模生成抗体序列
  • 在多个抗原上验证,生成多样且高质量抗体,符合规模增长规律
  • 集成高性能计算,适合工业级抗体药物研发团队使用

抗体工程对药物开发和生物医学研究至关重要。传统发现方法依赖耗时且资源密集的实验筛选。为提升效率,我们提出基于HelixFold3的生产级高通量平台HelixDesign-Antibody,可大规模生成抗体候选序列并评估其与抗原的相互作用。平台集成高性能计算(HPC)支持,解决工具链分散和计算需求高的问题。在多个抗原上的验证表明,该平台能生成多样且高质量的抗体,证实探索更大序列空间可提高找到最优结合物的概率。该平台提供无缝、易用的大规模抗体设计解决方案,可通过PaddleHelix平台的抗体设计页面获取。

原文摘要 · Abstract (English)

Antibody engineering is essential for developing therapeutics and advancing biomedical research. Traditional discovery methods often rely on time-consuming and resource-intensive experimental screening. To enhance and streamline this process, we introduce a production-grade, high-throughput platform built on HelixFold3, HelixDesign-Antibody, which utilizes the high-accuracy structure prediction model, HelixFold3. The platform facilitates the large-scale generation of antibody candidate sequences and evaluates their interaction with antigens. Integrated high-performance computing (HPC) support enables high-throughput screening, addressing challenges such as fragmented toolchains and high computational demands. Validation on multiple antigens showcases the platform's ability to generate diverse and high-quality antibodies, confirming a scaling law where exploring larger sequence spaces increases the likelihood of identifying optimal binders. This platform provides a seamless, accessible solution for large-scale antibody design and is available via the antibody design page of PaddleHelix platform.

抗体设计结构预测高通量AI制药

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