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Deep neural networks are a powerful tool for feature learning and extraction given their ability to model high-level abstractions in highly complex data. One area worth exploring in feature learning and extraction using deep neural networks…

Machine Learning · Computer Science 2015-12-15 Mohammad Javad Shafiee , Parthipan Siva , Paul Fieguth , Alexander Wong

Protein Structure Prediction (PSP) is an unsolved problem in the field of computational biology. The problem of protein structure prediction is about predicting the native conformation of a protein, while its sequence of amino acids is…

Biomolecules · Quantitative Biology 2022-06-06 Hossein Parineh , Nasser Mozayani

Inverse Protein Folding (IPF) is a critical subtask in the field of protein design, aiming to engineer amino acid sequences capable of folding correctly into a specified three-dimensional (3D) conformation. Although substantial progress has…

Computation and Language · Computer Science 2025-05-20 Yanting Li , Jiyue Jiang , Zikang Wang , Ziqian Lin , Dongchen He , Yuheng Shan , Yanruisheng Shao , Jiayi Li , Xiangyu Shi , Jiuming Wang , Yanyu Chen , Yimin Fan , Han Li , Yu Li

In recent era prediction of enzyme class from an unknown protein is one of the challenging tasks in bioinformatics. Day to day the number of proteins is increases as result the prediction of enzyme class gives a new opportunity to…

Machine Learning · Computer Science 2019-01-21 Chhote Lal Prasad Gupta , Anand Bihari , Sudhakar Tripathi

Instead of conformation states of single residues, refined conformation states of quintuplets are proposed to reflect conformation correlation. Simple hidden Markov models combining with sliding window scores are used for predicting…

Biomolecules · Quantitative Biology 2007-05-23 Wei-Mou Zheng

PPG-based Blood Pressure (BP) estimation is a challenging biosignal processing task for low-power devices such as wearables. State-of-the-art Deep Neural Networks (DNNs) trained for this task implement either a PPG-to-BP signal-to-signal…

Signal Processing · Electrical Eng. & Systems 2024-09-13 Alessio Burrello , Francesco Carlucci , Giovanni Pollo , Xiaying Wang , Massimo Poncino , Enrico Macii , Luca Benini , Daniele Jahier Pagliari

Proteins play a central role in biology from immune recognition to brain activity. While major advances in machine learning have improved our ability to predict protein structure from sequence, determining protein function from structure…

DNA-binding proteins are a class of proteins which have a specific or general affinity to DNA and include three important components: transcription factors; nucleases, and histones. DNA-binding proteins also perform important roles in many…

Computer Vision and Pattern Recognition · Computer Science 2012-07-12 Sokyna Qatawneh , Afaf Alneaimi , Thamer Rawashdeh , Mmohammad Muhairat , Rami Qahwaji , Stan Ipson

The Automated Protein Structure Analysis (APSA) method, which describes the protein backbone as a smooth line in 3-dimensional space and characterizes it by curvature kappa and torsion tau as a function of arc length s, was applied on 77…

Quantitative Methods · Quantitative Biology 2008-11-24 S. Ranganathan , D. Izotov , E. Kraka , D. Cremer

Electron-impact ionization cross sections of atoms and molecules are essential for plasma modelling. However, experimentally determining the absolute cross sections is not easy, and ab initio calculations become computationally prohibitive…

Plasma Physics · Physics 2024-10-10 Yifan Wang , Linlin Zhong

In this paper we address the problem of protein classification starting from a multi-view 2D representation of proteins. From each 3D protein structure, a large set of 2D projections is generated using the protein visualization software…

Computer Vision and Pattern Recognition · Computer Science 2019-10-30 Loris Nanni , Alessandra Lumini , Federica Pasquali , Sheryl Brahnam

Simple hidden Markov models are proposed for predicting secondary structure of a protein from its amino acid sequence. Since the length of protein conformation segments varies in a narrow range, we ignore the duration effect of length…

Biological Physics · Physics 2007-05-23 Wei-Mou Zheng

Deep Convolutional Neural Network (CNN) is a special type of Neural Networks, which has shown exemplary performance on several competitions related to Computer Vision and Image Processing. Some of the exciting application areas of CNN…

Computer Vision and Pattern Recognition · Computer Science 2020-05-12 Asifullah Khan , Anabia Sohail , Umme Zahoora , Aqsa Saeed Qureshi

Virtual screening (VS) is an essential task in drug discovery, focusing on the identification of small-molecule ligands that bind to specific protein pockets. Existing deep learning methods, from early regression models to recent…

Machine Learning · Computer Science 2025-11-11 Bowei He , Bowen Gao , Yankai Chen , Yanyan Lan , Chen Ma , Philip S. Yu , Ya-Qin Zhang , Wei-Ying Ma

Secondary structure plays an important role in determining the function of non-coding RNAs. Hence, identifying RNA secondary structures is of great value to research. Computational prediction is a mainstream approach for predicting RNA…

Biomolecules · Quantitative Biology 2021-09-15 Qi Zhao , Zheng Zhao , Xiaoya Fan , Zhengwei Yuan , Qian Mao , Yudong Yao

Advances in deep learning have opened an era of abundant and accurate predicted protein structures; however, similar progress in protein ensembles has remained elusive. This review highlights several recent research directions towards…

Biomolecules · Quantitative Biology 2025-09-23 Bowen Jing , Bonnie Berger , Tommi Jaakkola

Convolutional Neural Networks (CNNs) have become deeper and more complicated compared with the pioneering AlexNet. However, current prevailing training scheme follows the previous way of adding supervision to the last layer of the network…

Computer Vision and Pattern Recognition · Computer Science 2019-06-05 Dawei Sun , Anbang Yao , Aojun Zhou , Hao Zhao

Deep Learning has a hierarchical network architecture to represent the complicated feature of input patterns. The adaptive structural learning method of Deep Belief Network (DBN) has been developed. The method can discover an optimal number…

Neural and Evolutionary Computing · Computer Science 2018-08-28 Shin Kamada , Takumi Ichimura , Toshihide Harada

The demand for fast and accurate structural analysis is becoming increasingly more prevalent with the advance of generative design and topology optimization technologies. As one step toward accelerating structural analysis, this work…

Machine Learning · Computer Science 2019-07-02 Zhenguo Nie , Haoliang Jiang , Levent Burak Kara

Proteins play a vital role in biological processes and are indispensable for living organisms. Accurate representation of proteins is crucial, especially in drug development. Recently, there has been a notable increase in interest in…

Biomolecules · Quantitative Biology 2026-05-28 Dan Kalifa , Uriel Singer , Kira Radinsky