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Learning on 3D structures of large biomolecules is emerging as a distinct area in machine learning, but there has yet to emerge a unifying network architecture that simultaneously leverages the graph-structured and geometric aspects of the…

Biomolecules · Quantitative Biology 2021-05-18 Bowen Jing , Stephan Eismann , Patricia Suriana , Raphael J. L. Townshend , Ron Dror

During the last decade, network approaches became a powerful tool to describe protein structure and dynamics. Here we review the links between disordered proteins and the associated networks, and describe the consequences of local,…

Prediction of one-dimensional protein structures such as secondary structures and contact numbers is useful for the three-dimensional structure prediction and important for the understanding of sequence-structure relationship. Here we…

Biomolecules · Quantitative Biology 2007-05-23 Akira R. Kinjo , Ken Nishikawa

In this paper we propose a highly scalable convolutional neural network, end-to-end trainable, for real-time 3D human pose regression from still RGB images. We call this approach the Scalable Sequential Pyramid Networks (SSP-Net) as it is…

Computer Vision and Pattern Recognition · Computer Science 2020-09-07 Diogo Luvizon , Hedi Tabia , David Picard

Protein function prediction is a crucial task in bioinformatics, with significant implications for understanding biological processes and disease mechanisms. While the relationship between sequence and function has been extensively…

Quantitative Methods · Quantitative Biology 2024-09-04 Shania Mitra , Lei Huang , Manolis Kellis

Current AI-assisted protein design mainly utilizes protein sequential and structural information. Meanwhile, there exists tremendous knowledge curated by humans in the text format describing proteins' high-level functionalities. Yet,…

Network theory-based approaches provide valuable insights into the variations in global structural connectivity between differing dynamical states of proteins. Our objective is to review network-based analyses to elucidate such variations,…

Protein-Protein Interactions (PPIs) perform essential roles in biological functions. Although some experimental techniques have been developed to detect PPIs, they suffer from high false positive and high false negative rates. Consequently,…

Quantitative Methods · Quantitative Biology 2017-12-29 Samaneh Aghajanbaglo , Sobhan Moosavi , Maseud Rahgozar , Amir Rahimi

The pancreatic disease taxonomy includes ten types of masses (tumors or cysts)[20,8]. Previous work focuses on developing segmentation or classification methods only for certain mass types. Differential diagnosis of all mass types is…

Image and Video Processing · Electrical Eng. & Systems 2020-12-10 Tianyi Zhao , Kai Cao , Jiawen Yao , Isabella Nogues , Le Lu , Lingyun Huang , Jing Xiao , Zhaozheng Yin , Ling Zhang

Structural relationships among proteins are important in the study of their evolution as well as in drug design and development. The protein 3D structure has been shown to be effective with respect to classifying proteins. Prior work has…

Biomolecules · Quantitative Biology 2016-02-26 James DeFelice , Vicente M. Reyes

Proteins are an important class of biomolecules that serve as essential building blocks of the cells. Their three-dimensional structures are responsible for their functions. In this thesis we have investigated the protein structures using a…

Molecular Networks · Quantitative Biology 2007-11-19 Ganesh Bagler

In this perspective article, we present a multidisciplinary approach for characterizing protein structure networks. We first place our approach in its historical context and describe the manner in which it synthesizes concepts from quantum…

Molecular Networks · Quantitative Biology 2019-12-30 Vasundhara Gadiyaram , Smitha Vishveshwara , Saraswathi Vishveshwara

Deep neural networks (DNNs) are powerful machine learning models and have succeeded in various artificial intelligence tasks. Although various architectures and modules for the DNNs have been proposed, selecting and designing the…

Neural and Evolutionary Computing · Computer Science 2018-01-24 Shinichi Shirakawa , Yasushi Iwata , Youhei Akimoto

Recent progress in semantic segmentation has been driven by improving the spatial resolution under Fully Convolutional Networks (FCNs). To address this problem, we propose a Stacked Deconvolutional Network (SDN) for semantic segmentation.…

Computer Vision and Pattern Recognition · Computer Science 2017-08-17 Jun Fu , Jing Liu , Yuhang Wang , Hanqing Lu

This paper presents a new method for 3D action recognition with skeleton sequences (i.e., 3D trajectories of human skeleton joints). The proposed method first transforms each skeleton sequence into three clips each consisting of several…

Computer Vision and Pattern Recognition · Computer Science 2017-11-21 Qiuhong Ke , Mohammed Bennamoun , Senjian An , Ferdous Sohel , Farid Boussaid

The knowledge regarding the function of proteins is necessary as it gives a clear picture of biological processes. Nevertheless, there are many protein sequences found and added to the databases but lacks functional annotation. The…

Quantitative Methods · Quantitative Biology 2018-09-13 Anu Vazhayil , Vinayakumar R , Soman KP

Geometric Graph Neural Networks (GNNs) and Transformers have become state-of-the-art for learning from 3D protein structures. However, their reliance on message passing prevents them from capturing the hierarchical interactions that govern…

Machine Learning · Computer Science 2025-12-09 Chang Liu , Vivian Li , Linus Leong , Vladimir Radenkovic , Pietro Liò , Chaitanya K. Joshi

Protein dynamics underlie many biological functions, yet remain difficult to characterize due to the high computational cost of molecular dynamics simulations and the scarcity of dynamic structural data. This survey reviews recent advances…

Biomolecules · Quantitative Biology 2026-04-29 Haocheng Tang , Liang Shi , Ya-Shi Zhang , Xixian Liu , Jian Tang , Jiarui Lu

Deep generative models that learn from the distribution of natural protein sequences and structures may enable the design of new proteins with valuable functions. While the majority of today's models focus on generating either sequences or…

Biomolecules · Quantitative Biology 2024-10-03 Chentong Wang , Sarah Alamdari , Carles Domingo-Enrich , Ava Amini , Kevin K. Yang

Protein structure prediction is a challenging and unsolved problem in computer science. Proteins are the sequence of amino acids connected together by single peptide bond. The combinations of the twenty primary amino acids are the…

Computational Engineering, Finance, and Science · Computer Science 2015-10-12 Mahmood A. Rashid , Firas Khatib , Abdul Sattar