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We use a semisupervised learning algorithm based on a topological data analysis approach to assign functional categories to yeast proteins using similarity graphs. This new approach to analyzing biological networks yields results that are…

Computational Engineering, Finance, and Science · Computer Science 2014-08-26 R. Sean Bowman , Douglas Heisterkamp , Jesse Johnson , Danielle O'Donnol

RNAs play crucial and versatile roles in biological processes. Computational prediction approaches can help to understand RNA structures and their stabilizing factors, thus providing information on their functions, and facilitating the…

Biological Physics · Physics 2020-09-04 Bin Huang , Yuanyang Du , Shuai Zhang , Wenfei Li , Jun Wang , Jian Zhang

Accurate prediction of protein-ligand binding affinity is critical for drug discovery. While recent deep learning approaches have demonstrated promising results, they often rely solely on structural features of proteins and ligands,…

Machine Learning · Computer Science 2026-01-23 Han Liu , Keyan Ding , Peilin Chen , Yinwei Wei , Liqiang Nie , Dapeng Wu , Shiqi Wang

Identifying novel functional protein structures is at the heart of molecular engineering and molecular biology, requiring an often computationally exhaustive search. We introduce the use of a Deep Convolutional Generative Adversarial…

Biomolecules · Quantitative Biology 2021-04-20 Ethan Moyer , Jeff Winchell , Isamu Isozaki , Yigit Alparslan , Mali Halac , Edward Kim

Protein secondary structure (SS) prediction is important for studying protein structure and function. When only the sequence (profile) information is used as input feature, currently the best predictors can obtain ~80% Q3 accuracy, which…

Biomolecules · Quantitative Biology 2015-12-14 Sheng Wang , Jian Peng , Jianzhu Ma , Jinbo Xu

We propose an optimized parameter set for protein secondary structure prediction using three layer feed forward back propagation neural network. The methodology uses four parameters viz. encoding scheme, window size, number of neurons in…

Biomolecules · Quantitative Biology 2018-02-02 Jyotshna Dongardivev , Siby Abraham

Background:Typically, proteins perform key biological functions by interacting with each other. As a consequence, predicting which protein pairs interact is a fundamental problem. Experimental methods are slow, expensive, and may be error…

Biomolecules · Quantitative Biology 2022-02-08 Leonardo Martini , Adriano Fazzone , Luca Becchetti

SMISS is a novel web server for protein function prediction. Three different predictors can be selected for different usage. It integrates different sources to improve the protein function prediction accuracy, including the query protein…

Genomics · Quantitative Biology 2016-07-06 Renzhi Cao , Zhaolong Zhong , Jianlin Cheng

In this paper, we present NSGA-II-SVM (Non-dominated Sorting Genetic Algorithm with Support Vector Machine Guidance), a novel learnable evolutionary and search-based testing algorithm that leverages Support Vector Machine (SVM)…

Software Engineering · Computer Science 2024-01-24 Lev Sorokin , Niklas Kerscher

Accurate identification of protein-nucleotide binding sites is fundamental to deciphering molecular mechanisms and accelerating drug discovery. However, current computational methods often struggle with suboptimal performance due to…

Machine Learning · Computer Science 2026-03-17 Yiming Gao , Liuyi Xu , Pengshan Cui , Yining Qian , An-Yang Lu , Xianpeng Wang

Protein structure-based property prediction has emerged as a promising approach for various biological tasks, such as protein function prediction and sub-cellular location estimation. The existing methods highly rely on experimental protein…

Machine Learning · Computer Science 2023-10-20 Yufei Huang , Siyuan Li , Jin Su , Lirong Wu , Odin Zhang , Haitao Lin , Jingqi Qi , Zihan Liu , Zhangyang Gao , Yuyang Liu , Jiangbin Zheng , Stan. ZQ. Li

Graphical modeling is a widely used tool for analyzing conditional dependencies between variables and traditional methods may struggle to capture shared and distinct structures in multi-group or multi-condition settings. Joint graphical…

Methodology · Statistics 2025-03-10 Duong H. T. Vo , Nelofer Syed , Thomas Thorne

One of the important questions in biological evolution is to know if certain changes along protein coding genes have contributed to the adaptation of species. This problem is known to be biologically complex and computationally very…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-03-15 Sébastien Moretti , Riccardo Murri , Sergio Maffioletti , Arnold Kuzniar , Briséïs Castella , Nicolas Salamin , Marc Robinson-Rechavi , Heinz Stockinger

Algorithms that detect covariance between pairs of columns in multiple sequence alignments are commonly employed to predict functionally important residues and structural contacts. However, the assumption that co-variance only occurs…

Quantitative Methods · Quantitative Biology 2014-01-07 Kyle E. Kreth , Anthony A. Fodor

Protein engineering is an emerging field in biotechnology that has the potential to revolutionize various areas, such as antibody design, drug discovery, food security, ecology, and more. However, the mutational space involved is too vast…

Biomolecules · Quantitative Biology 2023-07-28 Yuchi Qiu , Guo-Wei Wei

In the present article, we propose a paradigm shift on evolving Artificial Neural Networks (ANNs) towards a new bio-inspired design that is grounded on the structural properties, interactions, and dynamics of protein networks (PNs): the…

Neural and Evolutionary Computing · Computer Science 2024-06-10 Oscar Lao , Konstantinos Zacharopoulos , Apostolos Fournaris , Rossano Schifanella , Ioannis Arapakis

This paper presents a novel application of Genetic Algorithms(GAs) to quantify the performance of Platform as a Service (PaaS), a cloud service model that plays a critical role in both industry and academia. While Cloud benchmarks are not…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-08-28 Jeff Kinnison , Sekou L. Remy

Community detection and edge prediction are both forms of link mining: they are concerned with discovering the relations between vertices in networks. Some of the vertex similarity measures used in edge prediction are closely related to the…

Physics and Society · Physics 2015-06-03 Bowen Yan , Steve Gregory

Addressing the growing demands of artificial intelligence (AI) and data analytics requires new computing approaches. In this paper, we propose a reconfigurable hardware accelerator designed specifically for AI and data-intensive…

Hardware Architecture · Computer Science 2026-02-05 Md Rownak Hossain Chowdhury , Mostafizur Rahman

Proteins play essential roles in nature, from catalyzing biochemical reactions to binding specific targets. Advances in protein engineering have the potential to revolutionize biotechnology and healthcare by designing proteins with tailored…

Biomolecules · Quantitative Biology 2025-05-05 Hocheol Lim , Geon-Ho Lee , Kyoung Tai No