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Review Article

蛋白质-肽复合物结构预测的当前计算方法

卷 31, 期 26, 2024

发表于: 06 October, 2023

页: [4058 - 4078] 页: 21

弟呕挨: 10.2174/0109298673263447230920151524

价格: $65

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摘要

肽介导的蛋白-蛋白相互作用(PPIs)在多种生物过程中发挥着重要作用。肽类药物以其高特异性和低毒性的优势，越来越受到人们的关注。在肽类药物的开发中，最重要的步骤之一是确定肽类药物与靶蛋白之间相互作用的细节。除了实验方法外，最近开发的计算方法为研究蛋白质-肽相互作用提供了一种经济有效的方法。本文对近年来发展起来的蛋白-肽对接方法进行了综述，将其分为三类:基于模板的对接、无模板的对接和杂交对接。然后，我们提出了可用的基准集和评估指标来评估蛋白质-肽对接性能。此外，我们讨论了分子动力学模拟的使用，以及深度学习方法在蛋白质-肽复合物预测中的应用。

关键词: 蛋白肽对接，基准集，评估指标，分子动力学模拟，深度学习，对接性能。

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