通过AlphaFold-Multimer进行增强的蛋白质-蛋白质相互作用发现
bioRxiv : the preprint server for biology
|June 26, 2025
概括
我们开发了一种新的局部相互作用评分 (LIS),以改进使用AlphaFold-Multimer检测蛋白质-蛋白质相互作用 (PPI),特别是用于灵活和小的接口. 这种方法增强了PPI网络的计算识别.
科学领域:
- * 计算生物学 计算生物学
- * * 结构生物学 结构生物学
- * 生物信息学是一门学科.
背景情况:
- *绘制蛋白质-蛋白质相互作用 (PPI) 图表对于理解细胞功能和疾病机制至关重要.
- * 传统的实验方法难以识别过渡性或小接口的PPI.
- *AlphaFold-Multimer (AFM) 显示出有希望的结果,但在检测某些PPI方面存在局限性.
研究的目的:
- *为了解决AlphaFold-Multimer的接口pTM (ipTM) 度量用于检测特定PPI的局限性.
- * 引入和验证一个新的指标,即局部交互得分 (LIS),以改进PPI预测.
- * 加强在大型数据集中直接相互作用的发现,并创建一个全面的资源.
主要方法:
- *使用AlphaFold-Multimer重新评估了来自Drosophila和人类的高可靠性PPI数据集.
- * 基于AlphaFold-Multimer的预测对齐错误 (PAE) 的本地相互作用评分 (LIS) 的开发.
- *将LIS应用于大规模的Drosophila PPI数据集,并与FlyPredictome平台集成.
主要成果:
- * ipTM指标被发现不足以识别具有小或灵活接口的PPI.
- * LIS 方法在检测这些具有挑战性的 PPI 中表现出更高的灵敏度.
- *LIS应用程序改善了在Drosophila数据集中的直接相互作用的识别.
结论:
- *LIS指标显著提高了AlphaFold-Multimer对PPI的预测能力.
- *包括LIS在内的计算方法可以有效地补充PPI网络映射的实验方法.
- * FlyPredictome为探索PPI提供了一个有价值的综合资源.
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