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Updated: Sep 17, 2025

Interactive Molecular Model Assembly with 3D Printing
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通过基于物理和偏好调整的生成基础模型进行in-silico 3D分子编辑.

Xiaohan Lin1, Yijie Xia1, Yanheng Li1

  • 1New Cornerstone Science Laboratory, Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering, Peking University, Beijing, China.

Nature communications
|July 2, 2025
PubMed
概括

本研究介绍了MolEdit,这是一种用于3D分子的生成AI,通过整合物理来克服药物设计的局限性. MolEdit产生有效的,复杂的分子结构,具有更好的稳定性和多样性.

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