为新的蛋白质设计提供生成型人工智能
Adam Winnifrith1, Carlos Outeiral2, Brian L Hie3
1Department of Biochemistry, University of Oxford, South Parks Rd, Oxford, OX1 3QU, United Kingdom; Evolvere Biosciences, Innovation Building, Old Road Campus, Oxford, OX3 7FZ, United Kingdom.
Current opinion in structural biology
|April 25, 2024
概括
人工智能正在彻底改变新的蛋白质设计,使得能够创建具有特定功能的新型蛋白质. 本综述为理解这些人工智能工具及其融入蛋白质工程工作流程提供了一个框架.
科学领域:
- 生物化学 生物化学
- 计算生物学 计算生物学
- 蛋白质工程是指蛋白质工程.
背景情况:
- 蛋白质工程旨在创造超越自然进化的新分子.
- 人工智能 (AI) 的进步,特别是生成模型,正在加速新的蛋白质设计.
- 目前的人工智能驱动的设计协议显示,实验成功率接近20%.
研究的目的:
- 为了解人工智能工具在新型蛋白质设计中的作用提供一个框架.
- 突出人工智能辅助蛋白质工程的挑战和机遇.
- 强调将生物化学知识纳入人工智能设计过程的重要性.
主要方法:
- 对当前用于蛋白质生成的AI架构 (例如语言模型,扩散过程) 的审查.
- 对最先进的新型蛋白质设计协议的分析.
- 讨论用于设计优先级和实验验证的in silico指标.
主要成果:
- 人工智能模型展示了产生现实的和功能性的新型蛋白质的能力.
- 新设计的蛋白质的实验成功率正在提高.
- 优化设计优先级和设计复杂蛋白质行为的关键挑战仍然存在.
结论:
- 人工智能显著提高了具有所需功能的蛋白质的de novo设计.
- 整合生化知识对于提高AI模型性能和可解释性至关重要.
- 需要进一步的研究来应对设计具有复杂构造变化和翻译后修改的蛋白质的挑战.
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