计算机科学
功能(生物学)
蛋白质结构预测
蛋白质功能
简单(哲学)
计算生物学
蛋白质-蛋白质相互作用
序列(生物学)
协议(科学)
蛋白质结构
生物系统
生物
遗传学
医学
生物化学
哲学
替代医学
认识论
病理
基因
作者
Patrick Bryant,Gabriele Pozzati,Arne Elofsson
标识
DOI:10.1038/s41467-022-28865-w
摘要
Abstract Predicting the structure of interacting protein chains is a fundamental step towards understanding protein function. Unfortunately, no computational method can produce accurate structures of protein complexes. AlphaFold2, has shown unprecedented levels of accuracy in modelling single chain protein structures. Here, we apply AlphaFold2 for the prediction of heterodimeric protein complexes. We find that the AlphaFold2 protocol together with optimised multiple sequence alignments, generate models with acceptable quality (DockQ ≥ 0.23) for 63% of the dimers. From the predicted interfaces we create a simple function to predict the DockQ score which distinguishes acceptable from incorrect models as well as interacting from non-interacting proteins with state-of-art accuracy. We find that, using the predicted DockQ scores, we can identify 51% of all interacting pairs at 1% FPR.
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