从蛋白质文本描述的Ab-initio氨基酸序列设计与ProtDAT
Xiao-Yu Guo1, Yi-Fan Li1, Yuan Liu1
1Institute of Image Processing and Pattern Recognition, Shanghai Jiao Tong University, and Key Laboratory of System Control and Information Processing, Ministry of Education of China, Shanghai, China.
Nature communications
|November 26, 2025
概括
我们开发了ProtDAT,这是一种用于蛋白质设计的新框架,它集成了蛋白质序列和文本数据. 与现有的方法相比,这种方法显著提高了蛋白质结构预测的准确性和功能性.
科学领域:
- 计算生物学 计算生物学
- 蛋白质工程是指蛋白质工程.
- 生物信息学是一种生物信息学.
背景情况:
- 蛋白质设计对于药物开发和酶工程至关重要.
- 目前的大型语言模型在与多模式蛋白质数据 (序列和文本) 斗争.
- 现有的方法缺乏有效整合各种蛋白质数据类型的能力.
研究的目的:
- 引入ProtDAT,一个新的框架,用于细粒度,多模式的蛋白质数据交互.
- 允许从描述性文本输入中直接进行新型蛋白质设计.
- 统一蛋白质序列和文本信息,以提高设计能力.
主要方法:
- ProtDAT框架统一了蛋白质序列和文本数据.
- 使用一种新的多模式交叉注意力机制进行综合分析.
- 使用pLDDT,TM-score和RMSD等指标评估蛋白质设计.
主要成果:
- 在20,000个瑞士-Prot文本序列对上的实验证明了ProtDAT的有效性.
- 在pLDDT中实现了23.34%的增加,表明结构可信度有所改善.
- 显示TM得分增加了76.45%,RMSD减少了24.41%,这意味着准确性和有效性得到了提高.
结论:
- 通过有效地整合多模式数据,ProtDAT在蛋白质设计方面取得了重大进展.
- 该框架在生成准确和功能性的蛋白质序列方面表现出卓越的性能.
- 这种方法有望加速药物开发和酶工程中的应用.
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