计算机科学 ›› 2024, Vol. 51 ›› Issue (8): 117-123.doi: 10.11896/jsjkx.231100014
魏想想, 孟朝晖
WEI Xiangxiang, MENG Zhaohui
摘要： 蛋白质是一种具有空间结构的物质。蛋白质结构预测的主要目标是从已有的大规模的蛋白质数据集中提取有效的信息,从而预测自然界中蛋白质的结构。目前蛋白质结构预测实验存在的一个问题是,缺少能够进一步反映出蛋白质空间结构特征的数据集。当前主流的 PDB 蛋白质数据集虽然是经过实验测得,但没有利用到蛋白质的空间特征,而且存在掺杂核酸数据和部分数据不完整的问题。针对以上问题,从蛋白质的空间结构角度来研究蛋白质的预测。在原始 PDB 数据集的基础上,提出了河海图结构蛋白质数据集(Hohai Graphic Protein Data Bank,HohaiGPDB)。该数据集以图结构为基础,表达出了蛋白质的空间结构特征。基于传统 Transformer 网络模型对新的数据集进行了相关的蛋白质结构预测实验,在 HohaiGPDB 数据集上的预测准确率可以达到 59.38%,证明了HohaiGPDB数据集的研究价值。HohaiGPDB 数据集可以作为蛋白质相关研究的通用数据集。
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