Possible Implications of AlphaFold2 for Crystallographic Phasing by Molecular Replacement
Possible Implications of AlphaFold2 for Crystallographic Phasing by Molecular Replacement
复制标题
AlphaFold2 对分子置换晶体相定的可能影响
DOI：
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发表时间：
2021
期刊：
影响因子：
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通讯作者：
R. Read
中科院分区：
文献类型：
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作者：
A. Mccoy;M. Sammito;R. Read
第14版结构预测关键评估（CASP14）中的AlphaFold2结果表明，无论蛋白质是否通过高覆盖率序列相似性与已知结构相关，蛋白质结构域的准确（低均方根偏差）计算机模拟模型即将出现。随着高度精确的模型变得可用，通过利用相关突变和深度学习的力量生成，结构生物学的一个方面将受到影响，这将是晶体学中的定相方法。我们在这里使用CASP14的数据来探索定相方法变化的前景，特别是探索使用计算机模型进行分子置换定相的前景。我们讨论了AlphaFold2蛋白质结构建模软件对晶体学定相策略的影响。
The AlphaFold2 results in the 14th edition of Critical Assessment of Structure Prediction (CASP14) showed that accurate (low root-mean-square deviation) in silico models of protein structure domains are on the horizon, whether or not the protein is related to known structures through high- coverage sequence similarity. As highly accurate models become available, generated by harnessing the power of correlated mutations and deep learning, one of the aspects of structural biology to be impacted will be methods of phasing in crystallography. We here use the data from CASP14 to explore the prospect for changes in phasing methods, and in particular to explore the prospects for molecular replacement phasing using in silico models. Synopsis We discuss the implications of the AlphaFold2 protein structure modelling software for crystallographic phasing strategies.