The 3D structure of protein determines its special biological function. The 3D structure of protein has important scientific significance for protein function research, disease diagnosis and treatment, and innovative drug research and development. It is an effective method to predict protein 3D structure from amino acid sequence by computer. Fragment assembly is a widely used technique for protein structure prediction, which can effectively reduce the conformational search space by converting continuous conformational space optimization into discrete experimental fragment combination optimization. This paper first introduces the technology of fragment assembly. Next, the development of protein structure prediction based on fragment assembly is summarized, and some typical prediction methods are briefly described. The commonly used databases and evaluation indexes in protein structure prediction are then demonstrated, and the performance of the representative prediction methods is compared. Finally, we analyse and point out the challenges of the current protein structure prediction methods based on fragment assembly, and look forward to the future research directions in this field.
表 6 Table 6 Experimental conditions for analysis of SAE network
表 4 Table 4 Icing conditions for analysis of SAE network
表 2 MMpred和Rosetta-d (距离约束的Rosetta)在320个基准测试蛋白上的平均预测结果[36]Table 2 Average prediction results of MMpred and Rosetta-d (Rosetta with distance constraints) on 320 benchmark proteins[36]
表 5 Table 5 Comparison of ice shape consistency indexes
图1 片段组装示意图Fig.1 Schematic diagram of fragment assembly
图 Fig.
图1 Water collection efficiency comparison between computed result and experimental data at different conditionsFig.1
图2 Ice shape comparison between the computed result and experimental data at different conditionsFig.2
图3 Ice shape parameters defined in the SAE standard[15]Fig.3
图4 DBN network structureFig.4
图5 SAE network structureFig.5
图7 Comparison of ice shape between the SAE prediction and the icing wind tunnel experimental resultsFig.7
表 1 CGLFold、C-QURK、MULTICOM_CLUSTER、BAKER-ROSETTASERVER和RaptorX-Contact在14个CASP13的FM目标上的预测结果比较[10]Table 1 Prediction results comparison of CGLFold, C-QUARK, MULTICOM _CLUSTER, BAKER-ROSETTASERVER, and RaptorX-Contact on the 14 FM targets of CASP13[10]