PMID- 33886473 OWN - NLM STAT- MEDLINE DCOM- 20220810 LR - 20220827 IS - 1557-9964 (Electronic) IS - 1545-5963 (Linking) VI - 19 IP - 4 DP - 2022 Jul-Aug TI - DeepSeqPanII: An Interpretable Recurrent Neural Network Model With Attention Mechanism for Peptide-HLA Class II Binding Prediction. PG - 2188-2196 LID - 10.1109/TCBB.2021.3074927 [doi] AB - Human leukocyte antigen (HLA) complex molecules play an essential role in immune interactions by presenting peptides on the cell surface to T cells. With significant deep learning progress, a series of neural network-based models have been proposed and demonstrated with their excellent performances for peptide-HLA class I binding prediction. However, there is still a lack of effective binding prediction models for HLA class II protein binding with peptides due to its inherent challenges. We present a novel sequence-based pan-specific neural network structure, DeepSeaPanII, for peptide-HLA class II binding prediction in this work. Our model is an end-to-end neural network model without the need for pre-or post-processing on input samples compared with existing pan-specific models. Besides state-of-the-art performance in binding affinity prediction, DeepSeqPanII can also extract biological insight on the binding mechanism over the peptide by its attention mechanism-based binding core prediction capability. The leave-one-allele-out cross-validation and benchmark evaluation results show that our proposed network model achieved state-of-the-art performance in HLA-II peptide binding. The source code and trained models are freely available at https://github.com/pcpLiu/DeepSeqPanII. FAU - Liu, Zhonghao AU - Liu Z FAU - Jin, Jing AU - Jin J FAU - Cui, Yuxin AU - Cui Y FAU - Xiong, Zheng AU - Xiong Z FAU - Nasiri, Alireza AU - Nasiri A FAU - Zhao, Yong AU - Zhao Y FAU - Hu, Jianjun AU - Hu J LA - eng GR - R01 AI127203/AI/NIAID NIH HHS/United States PT - Journal Article PT - Research Support, N.I.H., Extramural PT - Research Support, Non-U.S. Gov't PT - Research Support, U.S. Gov't, Non-P.H.S. DEP - 20220808 PL - United States TA - IEEE/ACM Trans Comput Biol Bioinform JT - IEEE/ACM transactions on computational biology and bioinformatics JID - 101196755 RN - 0 (HLA Antigens) RN - 0 (Histocompatibility Antigens Class I) RN - 0 (Peptides) SB - IM MH - *HLA Antigens/metabolism MH - Histocompatibility Antigens Class I/chemistry/metabolism MH - Humans MH - *Neural Networks, Computer MH - Peptides/chemistry/genetics MH - Protein Binding EDAT- 2021/04/23 06:00 MHDA- 2022/08/11 06:00 CRDT- 2021/04/22 17:22 PHST- 2021/04/23 06:00 [pubmed] PHST- 2022/08/11 06:00 [medline] PHST- 2021/04/22 17:22 [entrez] AID - 10.1109/TCBB.2021.3074927 [doi] PST - ppublish SO - IEEE/ACM Trans Comput Biol Bioinform. 2022 Jul-Aug;19(4):2188-2196. doi: 10.1109/TCBB.2021.3074927. Epub 2022 Aug 8.