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Hyperspectral imaging (HSI) allows researchers to study plant traits non-destructively. By capturing hundreds of narrow spectral bands per pixel, it reveals details about plant biochemistry and stress that standard cameras miss. However,…

Software Engineering · Computer Science 2026-04-15 Rishik Aggarwal , Krisha Joshi , Pappu Kumar Yadav , Jianwei Qin , Thomas F. Burks , Moon S. Kim

Protein secondary structure is crucial to creating an information bridge between the primary and tertiary (3D) structures. Precise prediction of eight-state protein secondary structure (PSS) has significantly utilized in the structural and…

Machine Learning · Computer Science 2020-09-23 Md Aminur Rab Ratul , Maryam Tavakol Elahi , M. Hamed Mozaffari , WonSook Lee

Faithfully reconstructing textured shapes and physical properties from videos presents an intriguing yet challenging problem. Significant efforts have been dedicated to advancing such a system identification problem in this area. Previous…

Graphics · Computer Science 2025-06-10 Chuhao Chen , Zhiyang Dou , Chen Wang , Yiming Huang , Anjun Chen , Qiao Feng , Jiatao Gu , Lingjie Liu

Street view imagery (SVI) has been instrumental in many studies in the past decade to understand and characterize street features and the built environment. Researchers across a variety of domains, such as transportation, health,…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Koichi Ito , Yihan Zhu , Mahmoud Abdelrahman , Xiucheng Liang , Zicheng Fan , Yujun Hou , Tianhong Zhao , Rui Ma , Kunihiko Fujiwara , Jiani Ouyang , Matias Quintana , Filip Biljecki

Data profiling plays a critical role in understanding the structure of complex datasets and supporting numerous downstream tasks, such as social media analytics and financial fraud detection. While existing research predominantly focuses on…

Human-Computer Interaction · Computer Science 2025-03-11 Yanwei Huang , Yan Miao , Di Weng , Adam Perer , Yingcai Wu

Decoding protein-protein interactions (PPIs) at the residue level is crucial for understanding cellular mechanisms and developing targeted therapeutics. We present Seq2Bind Webserver, a computational framework that leverages fine-tuned…

Quantitative Methods · Quantitative Biology 2025-06-18 Xiang Ma , Supantha Dey , Vaishnavey SR , Casey Zelinski , Qi Li , Ratul Chowdhury

The condvis package is for interactive visualization of sections in data space, showing fitted models on the section, and observed data near the section. The primary goal is the interpretation of complex models, and showing how the observed…

Other Statistics · Statistics 2016-10-04 Mark O'Connell , Catherine B. Hurley , Katarina Domijan

Proteins are essential component of human life and their structures are important for function and mechanism analysis. Recent work has shown the potential of AI-driven methods for protein structure prediction. However, the development of…

Structural assessment of biomolecular complexes is vital for translating molecular models into functional insights, shaping our understanding of biology and aiding drug discovery. However, current structure-based scoring functions often…

While results visualization is a critical phase to the communication of new academic results, plots are frequently shared without the complete combination of code, input data, execution context and outputs required to independently…

Software Engineering · Computer Science 2026-03-24 Gabriele Padovani , Sandro Fiore

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

Post-translational modifications (PTMs) affecting a protein's residues (amino acids) can disturb its function, leading to illness. Whether or not a PTM is pathogenic depends on its type and the status of neighboring residues. In this paper,…

Quantitative Methods · Quantitative Biology 2022-10-19 Nicolas F. Chaves-de-Plaza , Klaus Hildebrandt , Anna Vilanova

Virtual screening of small molecules against protein targets can accelerate drug discovery and development by predicting drug-target interactions (DTIs). However, structure-based methods like molecular docking are too slow to allow for…

In understanding and redesigning the function of proteins in modern biochemistry, protein engineers are increasingly focusing on exploring regions in proteins called loops. Analyzing various characteristics of these regions helps the…

Dynamic programming (DP) is a fundamental and powerful algorithmic paradigm taught in most undergraduate (and many graduate) algorithms classes. DP problems are challenging for many computer science students because they require identifying…

Computers and Society · Computer Science 2024-11-13 David H. Lee , Aditya Prasad , Ramiro Deo-Campo Vuong , Tianyu Wang , Eric Han , David Kempe

Recent advances in protein function prediction exploit graph-based deep learning approaches to correlate the structural and topological features of proteins with their molecular functions. However, proteins in vivo are not static but…

Biomolecules · Quantitative Biology 2022-11-22 Yuan Chiang , Wei-Han Hui , Shu-Wei Chang

Recovering analytical solutions of physical fields from visual observations is a fundamental yet underexplored capability for AI-assisted scientific reasoning. We study visual-to-symbolic analytical solution inference (ViSA) for…

Predicting protein secondary structure using lattice model is one of the most studied computational problem in bioinformatics. Here secondary structure or three dimensional structure of protein is predicted from its amino acid sequence.…

Computational Engineering, Finance, and Science · Computer Science 2014-07-18 Dipan Lal Shaw , M. Sohel Rahman , A. S. M. Sohidull Islam , Shuvasish Karmaker

Protein quantification and analysis are well-accepted approaches for biomarker discovery but are limited to identification without structural information. High-throughput omics data (i.e., genomics, transcriptomics, and proteomics) have…

Quantitative Methods · Quantitative Biology 2025-06-13 Lucas Wilken , Nihjum Paul , Troy Timmerman , Sara A. Tolba , Amara Arshad , Di Wu , Wenjie Xia , Bakhtiyor Rasulev , Rick Jansen , Dali Sun

Understanding the structure of a protein complex is crucial indetermining its function. However, retrieving accurate 3D structures from microscopy images is highly challenging, particularly as many imaging modalities are two-dimensional.…

Quantitative Methods · Quantitative Biology 2021-10-18 Benjamin J. Blundell , Christian Sieben , Suliana Manley , Ed Rosten , QueeLim Ch'ng , Susan Cox