论文标题
AlphaFold2可以预测单突击效应
AlphaFold2 can predict single-mutation effects
论文作者
论文摘要
Alphafold2（AF）是一个有前途的工具，但是它是否足够准确，可以预测单个突变效应？在这里，我们报告说，在\ num {3901}实验性和AF预测的结构之间，蛋白质对之间的局部结构变形仅通过1-3个突变（通过有效菌株来测量）。此外，对$ {\ sim} 11000 $蛋白质的分析表明，局部结构变化与各种表型变化相关。这些发现表明，AF可以平均预测单突击效应的范围和幅度，我们提出了一种提高AF预测精度并指示预测何时不可靠的方法。
AlphaFold2 (AF) is a promising tool, but is it accurate enough to predict single mutation effects? Here, we report that the localized structural deformation between protein pairs differing by only 1-3 mutations -- as measured by the effective strain -- is correlated across \num{3901} experimental and AF-predicted structures. Furthermore, analysis of ${\sim} 11000$ proteins shows that the local structural change correlates with various phenotypic changes. These findings suggest that AF can predict the range and magnitude of single-mutation effects on average, and we propose a method to improve precision of AF predictions and to indicate when predictions are unreliable.
