Scholarlink

<p>Generative models that have advanced inverse design in protein engineering can be extended to DNA origami to explore broader design spaces enabling complex geometries and functions for emerging nanotechnologies. However, progress in generative DNA origami design has been limited by the lack of large, standardized structural datasets containing structural information. To address this challenge, we introduce a diffusion-based generative design framework trained on simulated equilibrium conformations obtained using a multiscale computational model. Given user-defined target geometries, our model produces physically plausible DNA origami designs through guided diffusion sampling and strand routing, with integrated structure prediction for quantitative evaluation. Among more than 100 generated candidates, selected structures are experimentally validated, demonstrating proper folding and functional behaviors such as auxetic transformation and modular assembly. Our results highlight the potential of generative modeling for complex DNA origami design, expanding the accessible design space and facilitating the creation of sophisticated, reconfigurable architectures.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

De novo design of DNA origami with a generative diffusion model

  • 期刊论文

  • 出版模式：

    开放获取

  • 发表日期：

    2026年5月25日

查看全文
  • Chien Truong-Quoc,
  • Kyounghwa Jeon,
  • Jinho Kim,
  • Seo Hyun Kwon,
  • Dongsik Seo,
  • Chanseok Lee,
  • Do-Nyun Kim

摘要

Generative models that have advanced inverse design in protein engineering can be extended to DNA origami to explore broader design spaces enabling complex geometries and functions for emerging nanotechnologies. However, progress in generative DNA origami design has been limited by the lack of large, standardized structural datasets containing structural information. To address this challenge, we introduce a diffusion-based generative design framework trained on simulated equilibrium conformations obtained using a multiscale computational model. Given user-defined target geometries, our model produces physically plausible DNA origami designs through guided diffusion sampling and strand routing, with integrated structure prediction for quantitative evaluation. Among more than 100 generated candidates, selected structures are experimentally validated, demonstrating proper folding and functional behaviors such as auxetic transformation and modular assembly. Our results highlight the potential of generative modeling for complex DNA origami design, expanding the accessible design space and facilitating the creation of sophisticated, reconfigurable architectures.