PDF(Pubmed)
Abstract：
Estimation of model accuracy plays a crucial role in protein structure prediction, aiming to evaluate the quality of predicted protein structure models accurately and objectively. This process is not only key to screening candidate models that are close to the real structure, but also provides guidance for further optimization of protein structures. With the significant advancements made by AlphaFold2 in monomer structure, the problem of single-domain protein structure prediction has been widely solved. Correspondingly, the importance of assessing the quality of single-domain protein models decreased, and the research focus has shifted to estimation of model accuracy of protein complexes. In this review, our goal is to provide a comprehensive overview of the reference and statistical metrics, as well as representative methods, and the current challenges within four distinct facets (Topology Global Score, Interface Total Score, Interface Residue-Wise Score, and Tertiary Residue-Wise Score) in the field of complex EMA.
摘要：
模型精度的估计在蛋白质结构预测中起着至关重要的作用,目的是准确客观地评价预测蛋白质结构模型的质量。这个过程不仅是筛选接近真实结构的候选模型的关键，同时也为进一步优化蛋白质结构提供了指导。随着AlphaFold2在单体结构方面的重大进步，单结构域蛋白质结构预测问题已得到广泛解决。相应地,评估单结构域蛋白质模型质量的重要性下降，研究重点已经转移到蛋白质复合物模型精度的估计上。在这次审查中,我们的目标是提供参考和统计指标的全面概述，以及代表性的方法，以及当前四个不同方面的挑战(拓扑全局评分，接口总分,界面残差-明智评分,和三级残差-明智评分)在复杂EMA领域。
