Protein secondary structure prediction can provide important information for protein 3D structure prediction and protein functions. Deep learning offers a new opportunity to significantly improve prediction accuracy. In this paper, a new deep neural network architecture, named the Deep inception-inside-inception (Deep3I) network, is proposed for protein secondary structure prediction and implemented as a software tool MUFOLD-SS. The input to MUFOLD-SS is a carefully designed feature matrix corresponding to the primary amino acid sequence of a protein, which consists of a rich set of information derived from individual amino acid, as well as the context of the protein sequence. Specifically, the feature matrix is a composition of physio-chemical properties of amino acids, PSI-BLAST profile, and HHBlits profile. MUFOLD-SS is composed of a sequence of nested inception modules and maps the input matrix to either eight states or three states of secondary structures. The architecture of MUFOLD-SS enables effective processing of local and global interactions between amino acids in making accurate prediction. In extensive experiments on multiple datasets, MUFOLD-SS outperformed the best existing methods and other deep neural networks significantly. MUFold-SS can be downloaded from http://dslsrv8.cs.missouri.edu/~cf797/MUFoldSS/download.html.

BackgroundSeveral computational methods have been developed to predict protein-protein interactions from amino acid sequences, but most of those methods are intended for the interactions within a species rather than for interactions across different species. Methods for predicting interactions between homogeneous proteins are not appropriate for finding those between heterogeneous proteins since they do not distinguish the interactions between proteins of the same species from those of different species.ResultsWe developed a new method for representing a protein sequence of variable length in a frequency vector of fixed length, which encodes the relative frequency of three consecutive amino acids of a sequence. We built a support vector machine (SVM) model to predict human proteins that interact with virus proteins. In two types of viruses, human papillomaviruses (HPV) and hepatitis C virus (HCV), our SVM model achieved an average accuracy above 80%, which is higher than that of another SVM model with a different representation scheme. Using the SVM model and Gene Ontology (GO) annotations of proteins, we predicted new interactions between virus proteins and human proteins.ConclusionsEncoding the relative frequency of amino acid triplets of a protein sequence is a simple yet powerful representation method for predicting protein-protein interactions across different species. The representation method has several advantages: (1) it enables a prediction model to achieve a better performance than other representations, (2) it generates feature vectors of fixed length regardless of the sequence length, and (3) the same representation is applicable to different types of proteins.

In this paper, we introduce and study the potentials and challenges of integrated access and backhaul (IAB) as one of the promising techniques for evolving 5G networks. We study IAB networks from different perspectives. We summarize the recent Rel-16 as well as the upcoming Rel-17 3GPP discussions on IAB, and highlight the main IAB-specific agreements on different protocol layers. Also, concentrating on millimeter wave-based communications, we evaluate the performance of IAB networks in both dense and suburban areas. Using a finite stochastic geometry model, with random distributions of IAB nodes as well as user equipments (UEs) in a finite region, we study the service coverage rate defined as the probability of the event that the UEs' minimum rate requirements are satisfied. We present comparisons between IAB and hybrid IAB/fiber-backhauled networks where a part or all of the small base stations are fiber-connected. Finally, we study the robustness of IAB networks to weather and various deployment conditions and verify their effects, such as blockage, tree foliage, rain as well as antenna height/gain on the coverage rate of IAB setups, as the key differences between the fiber-connected and IAB networks. As we show, IAB is an attractive approach to enable the network densification required by 5G and beyond.

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Prediction of protein backbone torsion angles (Psi and Phi) can provide important information for protein structure prediction and sequence alignment. Existing methods for Psi-Phi angle prediction have significant room for improvement. In this paper, a new deep residual inception network architecture, called DeepRIN, is proposed for the prediction of Psi-Phi angles. The input to DeepRIN is a feature matrix representing a composition of physico-chemical properties of amino acids, a 20-dimensional position-specific substitution matrix (PSSM) generated by PSI-BLAST, a 30-dimensional hidden Markov Model sequence profile generated by HHBlits, and predicted eight-state secondary structure features. DeepRIN is designed based on inception networks and residual networks that have performed well on image classification and text recognition. The architecture of DeepRIN enables effective encoding of local and global interatcions between amino acids in a protein sequence to achieve accruacte prediction. Extensive experimental results show that DeepRIN outperformed the best existing tools significantly. Compared to the recently released state-of-the-art tool, SPIDER3, DeepRIN reduced the Psi angle prediction error by more than 5 degrees and the Phi angle prediction error by more than 2 degrees on average. The executable tool of DeepRIN is available for download at http://dslsrv8.cs.missouri.edu/~cf797/MUFoldAngle/.

RNA is emerging as a valuable target for the development of novel therapeutic agents. The rational design of RNA-targeting small molecules, however, has been hampered by the relative lack of methods for the analysis of small molecule− RNA interactions. Here, we present our efforts to develop such a platform using photoaffinity labeling. This technique, termed Photoaffinity Evaluation of RNA Ligation-Sequencing (PEARLseq), enables the rapid identification of small molecule binding locations within their RNA targets and can provide information on ligand selectivity across multiple different RNAs. These data, when supplemented with small molecule SAR data and RNA probing data enable the construction of a computational model of the RNA−ligand structure, thereby enabling the rational design of novel RNA-targeted ligands.

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Protein gamma-turn prediction is useful in protein function studies and experimental design. Several methods for gamma-turn prediction have been developed, but the results were unsatisfactory with Matthew correlation coefficients (MCC) around 0.2–0.4. Hence, it is worthwhile exploring new methods for the prediction. A cutting-edge deep neural network, named Capsule Network (CapsuleNet), provides a new opportunity for gamma-turn prediction. Even when the number of input samples is relatively small, the capsules from CapsuleNet are effective to extract high-level features for classification tasks. Here, we propose a deep inception capsule network for gamma-turn prediction. Its performance on the gamma-turn benchmark GT320 achieved an MCC of 0.45, which significantly outperformed the previous best method with an MCC of 0.38. This is the first gamma-turn prediction method utilizing deep neural networks. Also, to our knowledge, it is the first published bioinformatics application utilizing capsule network, which will provide a useful example for the community. Executable and source code can be download at http://dslsrv8.cs.missouri.edu/~cf797/MUFoldGammaTurn/download.html.