The rapid growth of biological databases has resulted in the vast development of many state-of-the-art molecular analysis tools for accurate disease diagnosis and drug discovery. Protein Data Bank (PDB) is a leading molecular database consisting of three-dimensional (3D) experimental structures of macromolecules and small molecules. The most significant role of PDB in Bioinformatics includes molecular modelling and computer-aided drug design (CADD). PDBms is a web tool for splitting PDB file and interactive visualization of molecules. It parses coordinate section records in the PDB file and categorizes them into a group of molecules. Moreover, it supports 3D graphic visualization in the various model for polymers and target-ligand interactions of complex structures. The web interface of PDBms is designed using NGL Viewer/WebGL JavaScript package and programming languages such as PHP, HTML, CSS, JavaScript, AJAX, and jQuery. PDBms is freely accessible at https://www.biogem.org/tool/pdbms/ .

The DNase I hypersensitive sites (DHSs) are active regions on chromatin that have been found to be highly sensitive to DNase I. These regions contain various cis-regulatory elements, including promoters, enhancers and silencers. Accurate identification of DHSs helps researchers better understand the transcriptional machinery of DNA and deepen the knowledge of functional DNA elements in non-coding sequences. Researchers have developed many methods based on traditional experiments and machine learning to identify DHSs. However, low prediction accuracy and robustness limit their application in genetics research. In this paper, a novel computational approach based on deep learning is proposed by feature fusion and local-global feature extraction network to identify DHSs in mouse, named iDHS-FFLG. First of all, multiple binary features of nucleotides are fused to better express sequence information. Then, a network consisting of the convolutional neural network (CNN), bidirectional long short-term memory (BiLSTM) and self-attention mechanism is designed to extract local features and global contextual associations. In the end, the prediction module is applied to distinguish between DHSs and non-DHSs. The results of several experiments demonstrate the superior performances of iDHS-FFLG compared to the latest methods.

The DNA-protein binding plays a pivotal role in regulating gene expression and evolution, and computational identification of DNA-protein has drawn more and more attention in bioinformatics. Recently, variants of BERT are also used to capture the semantic information of DNA sequences for predicting DNA-protein bindings. In this study, we leverage a task-specific pre-training strategy on BERT using large-scale multi-source DNA-protein binding data and present TFBert. TFBert treats DNA sequences as natural sentences and k-mer nucleotides as words. It can effectively extract upstream and downstream nucleotide context information by pre-training the 690 unlabeled ChIP-seq datasets. Experiments show that the pre-trained model can achieve promising performance on every single dataset in the 690 ChIP-seq datasets after simple fine tuning, especially on small datasets. The average AUC is 94.7%, outperforming existing popular methods. In conclusion, this study provides a variant of BERT based on pre-training and achieved state-of-the-art results in predicting DNA-protein bindings. We believe that TFBert can provide insights into other biological sequence classification problems.