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人工智能时代的蛋白质设计

[ protein design in the age of artificial intelligence].

作者信息

Liu Nan, Jin Xiaocheng, Yang Chongzhou, Wang Ziyang, Min Xiaoping, Ge Shengxiang

机构信息

State Key Laboratory of Molecular Vaccinology and Molecular Diagnostics, School of Public Health, Xiamen University, Xiamen 361005, Fujian, China.

Institute of Artificial Intelligence, School of Informatics, Xiamen University, Xiamen 361005, Fujian, China.

出版信息

Sheng Wu Gong Cheng Xue Bao. 2024 Nov 25;40(11):3912-3929. doi: 10.13345/j.cjb.240087.

Abstract

Proteins with specific functions and characteristics play a crucial role in biomedicine and nanotechnology. protein design enables the customization of sequences to produce proteins with desired structures that do not exist in the nature. In recent years, with the rapid development of artificial intelligence (AI), deep learning-based generative models have increasingly become powerful tools, enabling the design of functional proteins with atomic-level precision. This article provides an overview of the evolution of protein design, with focus on the latest algorithmic models, and then analyzes existing challenges such as low design success rates, insufficient accuracy, and dependence on experimental validation. Furthermore, this article discusses the future trends in protein design, aiming to provide insights for researchers and practitioners in this field.

摘要

具有特定功能和特性的蛋白质在生物医学和纳米技术中起着至关重要的作用。蛋白质设计能够定制序列,以产生自然界中不存在的具有所需结构的蛋白质。近年来,随着人工智能(AI)的迅速发展,基于深度学习的生成模型越来越成为强大的工具,能够以原子级精度设计功能蛋白质。本文概述了蛋白质设计的发展历程,重点介绍了最新的算法模型,然后分析了诸如设计成功率低、准确性不足以及依赖实验验证等现有挑战。此外,本文还讨论了蛋白质设计的未来趋势,旨在为该领域的研究人员和从业者提供见解。

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