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Review Article

计算蛋白设计——它将走向何方?

卷 31, 期 20, 2024

发表于: 01 August, 2023

页: [2841 - 2854] 页: 14

弟呕挨: 10.2174/0929867330666230602143700

价格: $65

摘要

蛋白质在调节与人类生命相关的多种生物过程中起着至关重要的作用。随着需求的增加，功能蛋白在这个巨大的序列空间中是稀疏的。因此，蛋白质设计已成为各个领域的重要任务，包括医药、食品、能源、材料等。定向进化最近取得了重大成就。通过定向进化技术对蛋白质进行分子修饰，极大地推动了酶工程、代谢工程、医学等领域的发展。然而，仅从大量的合成序列中鉴定出所需的序列是不可能的。因此，计算方法，包括数据驱动的机器学习和基于物理的分子建模，已经被引入到蛋白质工程中，以产生更多的功能蛋白质。本文综述了计算蛋白设计的最新进展，强调了不同方法的适用性以及它们的局限性。

关键词: 蛋白质设计，机器学习，神经网络，深度学习，分子建模，计算蛋白质设计。

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