Evaluation of Deep Neural Network ProSPr for Accurate Protein Distance Predictions on CASP14 Targets

The field of protein structure prediction has recently been revolutionized through the introduction of deep learning. The current state-of-the-art tool AlphaFold2 can predict highly accurate structures; however, it has a prohibitively long inference time for applications that require the folding of hundreds of sequences. The prediction of protein structure annotations, such as amino acid distances, can be achieved at a higher speed with existing tools, such as the ProSPr network. Here, we report on important updates to the ProSPr network, its performance in the recent Critical Assessment of Techniques for Protein Structure Prediction (CASP14) competition, and an evaluation of its accuracy dependency on sequence length and multiple sequence alignment depth. We also provide a detailed description of the architecture and the training process, accompanied by reusable code. This work is anticipated to provide a solid foundation for the further development of protein distance prediction tools.

Evaluation of Deep Neural Network ProSPr for Accurate Protein Distance Predictions on CASP14 Targets

The field of protein structure prediction has recently been revolutionized through the introduction of deep learning. The current state-of-the-art tool AlphaFold2 can predict highly accurate structures, however, it has a prohibitively long inference time for applications that require the folding of hundreds of sequences. The prediction of protein structure annotations, such as amino acid distances, can be achieved at a higher speed with existing tools, such as the ProSPr network. Here, we report on important updates to the ProSPr network, its performance on the recent Critical Assessment of Structure Prediction (CASP14) competition, and an evaluation of its accuracy dependency on multiple sequence alignment depth. We also provide a detailed description of the architecture and the training process, accompanied by reusable code. This work is anticipated to provide a solid foundation for the further development of protein distance prediction tools.

Absolute Distance Prediction Based on Deep Learning Object Detection and Monocular Depth Estimation Models

Determining the distance between the objects in a scene and the camera sensor from 2D images is feasible by estimating depth images using stereo cameras or 3D cameras. The outcome of depth estimation is relative distances that can be used to calculate absolute distances to be applicable in reality. However, distance estimation is very challenging using 2D monocular cameras. This paper presents a deep learning framework that consists of two deep networks for depth estimation and object detection using a single image. Firstly, objects in the scene are detected and localized using the You Only Look Once (YOLOv5) network. In parallel, the estimated depth image is computed using a deep autoencoder network to detect the relative distances. The proposed object detection based YOLO was trained using a supervised learning technique, in turn, the network of depth estimation was self-supervised training. The presented distance estimation framework was evaluated on real images of outdoor scenes. The achieved results show that the proposed framework is promising and it yields an accuracy of 96% with RMSE of 0.203 of the correct absolute distance.

Deep Learning-Based Advances in Protein Structure Prediction

Obtaining an accurate description of protein structure is a fundamental step toward understanding the underpinning of biology. Although recent advances in experimental approaches have greatly enhanced our capabilities to experimentally determine protein structures, the gap between the number of protein sequences and known protein structures is ever increasing. Computational protein structure prediction is one of the ways to fill this gap. Recently, the protein structure prediction field has witnessed a lot of advances due to Deep Learning (DL)-based approaches as evidenced by the success of AlphaFold2 in the most recent Critical Assessment of protein Structure Prediction (CASP14). In this article, we highlight important milestones and progresses in the field of protein structure prediction due to DL-based methods as observed in CASP experiments. We describe advances in various steps of protein structure prediction pipeline viz. protein contact map prediction, protein distogram prediction, protein real-valued distance prediction, and Quality Assessment/refinement. We also highlight some end-to-end DL-based approaches for protein structure prediction approaches. Additionally, as there have been some recent DL-based advances in protein structure determination using Cryo-Electron (Cryo-EM) microscopy based, we also highlight some of the important progress in the field. Finally, we provide an outlook and possible future research directions for DL-based approaches in the protein structure prediction arena.