人工神经网络
可达表面积
错义突变
理论(学习稳定性)
表面蛋白
点突变
计算机科学
蛋白质工程
相关系数
特征(语言学)
计算生物学
人工智能
模式识别(心理学)
机器学习
突变
遗传学
生物
生物化学
基因
病毒学
酶
语言学
哲学
作者
Huali Cao,Jingxue Wang,Liping He,Yifei Qi,John Z. H. Zhang
标识
DOI:10.1021/acs.jcim.8b00697
摘要
Accurately predicting changes in protein stability due to mutations is important for protein engineering and for understanding the functional consequences of missense mutations in proteins. We have developed DeepDDG, a neural network-based method, for use in the prediction of changes in the stability of proteins due to point mutations. The neural network was trained on more than 5700 manually curated experimental data points and was able to obtain a Pearson correlation coefficient of 0.48–0.56 for three independent test sets, which outperformed 11 other methods. Detailed analysis of the input features shows that the solvent accessible surface area of the mutated residue is the most important feature, which suggests that the buried hydrophobic area is the major determinant of protein stability. We expect this method to be useful for large-scale design and engineering of protein stability. The neural network is freely available to academic users at http://protein.org.cn/ddg.html.
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