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Accurately predicting peptide secondary structures remains a challenging task due to the lack of discriminative information in short peptides. In this study, PHAT is proposed, a deep hypergraph learning framework for the prediction of peptide secondary structures and the exploration of downstream tasks. The framework includes a novel interpretable deep hypergraph multi‐head attention network that uses residue‐based reasoning for structure prediction. The algorithm can incorporate sequential semantic information from large‐scale biological corpus and structural semantic information from multi‐scale structural segmentation, leading to better accuracy and interpretability even with extremely short peptides. The interpretable models are able to highlight the reasoning of structural feature representations and the classification of secondary substructures. The importance of secondary structures in peptide tertiary structure reconstruction and downstream functional analysis is further demonstrated, highlighting the versatility of our models. To facilitate the use of the model, an online server is established which is accessible via http://inner.wei‐group.net/PHAT/. The work is expected to assist in the design of functional peptides and contribute to the advancement of structural biology research. [ABSTRACT FROM AUTHOR]

Rapidly developing single-cell sequencing analyses produce more comprehensive profiles of the genomic, transcriptomic, and epigenomic heterogeneity of tumor subpopulations than do traditional bulk sequencing analyses. Moreover, single-cell techniques allow the response of a tumor to drug exposure to be more thoroughly investigated. Deep learning (DL) models have successfully extracted features from complex bulk sequence data to predict drug responses. We review recent innovations in single-cell technologies and DL-based approaches related to drug sensitivity predictions. We believe that, by using insights from bulk sequence data, deep transfer learning (DTL) can facilitate the use of single-cell data for training superior DL-based drug prediction models. A comprehensive understanding of heterogeneous tumor subpopulations will benefit drug sensitivity prediction and combination drug treatment design. Deep learning models are powerful and extensively used in drug sensitivity prediction and in inferring drug–target interactions. Single-cell sequencing techniques offer precise and accurate profiling of tumor subpopulations and reveal subtle differences in their response to drug treatments. Applying deep transfer learning to predict drug sensitivity allows us to not only take advantage of prior knowledge obtained from massive bulk sequencing data but also utilize the heterogeneous landscapes generated by single-cell sequencing techniques. The integration of single-cell multi-omic data for drug sensitivity prediction using transfer learning methods poses a special challenge. [ABSTRACT FROM AUTHOR]

Lysine malonylation is one of the important post-translational modification (PTM) of proteins. Malonylated proteins can affect various cell functions of eukaryotes and prokaryotes, which play an important role in metabolic pathways, mitochondrial functions, fatty acid oxidation and other life activities. However, accurate identification of the malonylation sites is the key to further understand the molecular mechanism of malonylation. Currently, experimental identification is still a challenging task, which usually requires a large amount of laboratory work and considerable cost. Regarding this situation, there is an urgent need to establish useful calculation methods and develop effective predictors. We propose a new deep learning network model called DeepMal. Firstly, features are extracted by enhanced amino acid composition (EAAC), enhanced grouped amino acid composition (EGAAC), dipeptide deviation from the expected mean (DDE), K nearest neighbors (KNN) and BLOSUM62 matrix. Secondly, the linear convolutional neural network is used to extract the specific features of malonylation sites, select the relevant features and reduce the feature dimension through maximum pooling. Finally, malonylation sites and non-malonylation sites are classified by a multilayer neural network. And an independent dataset is used to assess the predictive ability of the model DeepMal. On the independent datasets Escherichia coli (E. coli), Homo sapiens (H. sapiens), Mus musculus (M. musculus), the AUC values are 0.974, 0.956 and 0.944, and the accuracies are 96.5%, 95.5% and 94.5%, respectively. Compared with other prediction models, the prediction accuracy is increased by 9.5%–18.5%, and this indicates the effectiveness of the prediction model DeepMal. Using deep learning network can enhance the robustness of DeepMal model for predicting malonylation sites. The source codes and all datasets are publicly available at https://github.com/QUST-AIBBDRC/DeepMal/. • A novel method (DeepMal) to predict the lysine malonylation sites of proteins. • Protein sequence information is extracted from sequence features, physicochemical properties, and evolutionary features. • Convolutional neural networks can learn to extract significant features associated with malonylation sites. • Deep neural networks can improve the accurate prediction of protein lysine malonylation sites of proteins. • The proposed method increases the prediction performance on independent test datasets compared with other methods. [ABSTRACT FROM AUTHOR]